2-Aminoethanesulfonamide hydrochloride

Introduction

CAS No. :	89756-60-5	MDL No. :	MFCD02258341
Formula :	C2H9ClN2O2S	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	DGUVEYAZTOUCEJ-UHFFFAOYSA-N
M.W :	160.62	Pubchem ID :	3021549
Synonyms :

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	33.07
TPSA :	94.56 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-8.14 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	-1.21
Log Po/w (WLOGP) :	0.12
Log Po/w (MLOGP) :	-1.81
Log Po/w (SILICOS-IT) :	-1.42
Consensus Log Po/w :	-0.86

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.06
Solubility :	184.0 mg/ml ; 1.14 mol/l
Class :	Highly soluble
Log S (Ali) :	-0.28
Solubility :	84.0 mg/ml ; 0.523 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.15
Solubility :	225.0 mg/ml ; 1.4 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.2

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319	Packing Group:
GHS Pictogram:

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