5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide

C13H21NO3S3 — CID 106000739

IUPAC5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2cc(C)c(CO)s2)CCCC1
InChIInChI=1S/C13H21NO3S3/c1-10-7-12(19-11(10)8-15)20(16,17)14-9-13(18-2)5-3-4-6-13/h7,14-15H,3-6,8-9H2,1-2H3
InChIKeyQPPFVHKDDWPDLU-UHFFFAOYSA-N
MW335.52 g/mol
LogP2.50
Rot. Bonds6

About 5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide

5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide (PubChem CID 106000739) has the molecular formula C13H21NO3S3 and a molecular weight of 335.52 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
PubChem CID106000739
Molecular FormulaC13H21NO3S3
Molecular Weight335.52 g/mol
Exact Mass335.07
IUPAC Name5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2cc(C)c(CO)s2)CCCC1
InChIInChI=1S/C13H21NO3S3/c1-10-7-12(19-11(10)8-15)20(16,17)14-9-13(18-2)5-3-4-6-13/h7,14-15H,3-6,8-9H2,1-2H3
InChIKeyQPPFVHKDDWPDLU-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

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Related Compounds

5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106001847
5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106000848
5-chloro-3-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106000853
5-(aminomethyl)-2-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106092428
N-(2,2-difluoroethyl)-5-(hydroxymethyl)-4-methylthiophene-2-sulfonamide
CID 115409009
4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106090565
5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106000847
5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 114136202
3-chloro-4-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzenesulfonamide
CID 106000766
5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106090568
1-ethyl-5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106000807
5-(hydroxymethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 114132191

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide (CID 106000739) is 5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide is CSC1(CNS(=O)(=O)c2cc(C)c(CO)s2)CCCC1.
What is the InChIKey of 5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide?
The InChIKey is QPPFVHKDDWPDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S3/c1-10-7-12(19-11(10)8-15)20(16,17)14-9-13(18-2)5-3-4-6-13/h7,14-15H,3-6,8-9H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide?
5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-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 5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106000739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).