N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide

C13H21NO3S3 — CID 106002341

IUPACN-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
SMILESCCSC1CCCC1NS(=O)(=O)c1c(C)csc1CO
InChIInChI=1S/C13H21NO3S3/c1-3-18-11-6-4-5-10(11)14-20(16,17)13-9(2)8-19-12(13)7-15/h8,10-11,14-15H,3-7H2,1-2H3
InChIKeySEFXTLMGHITSQD-UHFFFAOYSA-N
MW335.52 g/mol
LogP2.50
Rot. Bonds6

About N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide

N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide (PubChem CID 106002341) has the molecular formula C13H21NO3S3 and a molecular weight of 335.52 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
PubChem CID106002341
Molecular FormulaC13H21NO3S3
Molecular Weight335.52 g/mol
Exact Mass335.07
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
SMILESCCSC1CCCC1NS(=O)(=O)c1c(C)csc1CO
InChIInChI=1S/C13H21NO3S3/c1-3-18-11-6-4-5-10(11)14-20(16,17)13-9(2)8-19-12(13)7-15/h8,10-11,14-15H,3-7H2,1-2H3
InChIKeySEFXTLMGHITSQD-UHFFFAOYSA-N
XLogP2.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide 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

4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 106091673
2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 106091700
N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749752
N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106002321
2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide
CID 102753338
2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 114132226
N-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106060252
2-chloro-N-(2-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)benzenesulfonamide
CID 106002315
N-(2-ethylsulfanylcyclopentyl)ethanesulfonamide
CID 103727787
2-(hydroxymethyl)-4-methyl-N-[(1-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 102750058
N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749765
2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
CID 106001307

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide (CID 106002341) is N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide is CCSC1CCCC1NS(=O)(=O)c1c(C)csc1CO.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is SEFXTLMGHITSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S3/c1-3-18-11-6-4-5-10(11)14-20(16,17)13-9(2)8-19-12(13)7-15/h8,10-11,14-15H,3-7H2,1-2H3.
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide?
N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 335.52 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106002341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).