Potassium (N-propylsulfamoyl)amide

Introduction

CAS No. :	1393813-41-6	MDL No. :	MFCD28144694
Formula :	C3H9KN2O2S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MTNZREVBMQFBLC-UHFFFAOYSA-N
M.W :	176.28	Pubchem ID :	86276534
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	31.57
TPSA :	66.58 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.69 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-5.11
Log Po/w (XLOGP3) :	-0.45
Log Po/w (WLOGP) :	1.36
Log Po/w (MLOGP) :	-0.59
Log Po/w (SILICOS-IT) :	-1.35
Consensus Log Po/w :	-1.23

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.45
Solubility :	62.3 mg/ml ; 0.354 mol/l
Class :	Very soluble
Log S (Ali) :	-0.48
Solubility :	58.0 mg/ml ; 0.329 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.67
Solubility :	38.0 mg/ml ; 0.216 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.31

Signal Word:	Danger	Class:	4.1,8
Precautionary Statements:	P210-P261-P280-P305+P351+P338	UN#:	2925
Hazard Statements:	H228-H318-H335	Packing Group:	Ⅲ
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine