N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride

C9H18ClN3O2S2 — CID 120664525

IUPACN-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1cnc(C)s1.Cl
InChIInChI=1S/C9H17N3O2S2.ClH/c1-4-10-7(2)5-12-16(13,14)9-6-11-8(3)15-9;/h6-7,10,12H,4-5H2,1-3H3;1H/t7-;/m1./s1
InChIKeyOYSIGBYFNYRZFL-OGFXRTJISA-N
MW299.85 g/mol
LogP1.15
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride (PubChem CID 120664525) has the molecular formula C9H18ClN3O2S2 and a molecular weight of 299.85 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride
PubChem CID120664525
Molecular FormulaC9H18ClN3O2S2
Molecular Weight299.85 g/mol
Exact Mass299.05
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1cnc(C)s1.Cl
InChIInChI=1S/C9H17N3O2S2.ClH/c1-4-10-7(2)5-12-16(13,14)9-6-11-8(3)15-9;/h6-7,10,12H,4-5H2,1-3H3;1H/t7-;/m1./s1
InChIKeyOYSIGBYFNYRZFL-OGFXRTJISA-N
XLogP1.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416040
N-(2-bromo-3-methylbutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416146
N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414895
N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414719
N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 114168907
5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 120714003
N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847971
4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 103414340
N-[2-(2-chloroethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 114145871
N-(3-chlorobutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415939
2-methyl-N-[2-(propylamino)ethyl]-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120716098
N-(1-bromopropan-2-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416028

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride (CID 120664525) is N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride is CCN[C@H](C)CNS(=O)(=O)c1cnc(C)s1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride?
The InChIKey is OYSIGBYFNYRZFL-OGFXRTJISA-N. The full InChI is InChI=1S/C9H17N3O2S2.ClH/c1-4-10-7(2)5-12-16(13,14)9-6-11-8(3)15-9;/h6-7,10,12H,4-5H2,1-3H3;1H/t7-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride has a molecular weight of 299.85 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120664525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).