5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide

C14H23NO3S3 — CID 106001847

IUPAC5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2cc(CO)sc2C)CCCCC1
InChIInChI=1S/C14H23NO3S3/c1-11-13(8-12(9-16)20-11)21(17,18)15-10-14(19-2)6-4-3-5-7-14/h8,15-16H,3-7,9-10H2,1-2H3
InChIKeyNRSQLBOWWWYOAH-UHFFFAOYSA-N
MW349.54 g/mol
LogP2.89
Rot. Bonds6

About 5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide

5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide (PubChem CID 106001847) has the molecular formula C14H23NO3S3 and a molecular weight of 349.54 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
PubChem CID106001847
Molecular FormulaC14H23NO3S3
Molecular Weight349.54 g/mol
Exact Mass349.08
IUPAC Name5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2cc(CO)sc2C)CCCCC1
InChIInChI=1S/C14H23NO3S3/c1-11-13(8-12(9-16)20-11)21(17,18)15-10-14(19-2)6-4-3-5-7-14/h8,15-16H,3-7,9-10H2,1-2H3
InChIKeyNRSQLBOWWWYOAH-UHFFFAOYSA-N
XLogP2.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106000848
5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106000739
5-(aminomethyl)-2-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106092428
5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106000847
5-(hydroxymethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 106002257
5-chloro-3-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106000853
N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride
CID 119998573
5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide
CID 106076875
1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433168
5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 114136202
5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide
CID 106433635
5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106090568

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide (CID 106001847) is 5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide is CSC1(CNS(=O)(=O)c2cc(CO)sc2C)CCCCC1.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide?
The InChIKey is NRSQLBOWWWYOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S3/c1-11-13(8-12(9-16)20-11)21(17,18)15-10-14(19-2)6-4-3-5-7-14/h8,15-16H,3-7,9-10H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide?
5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide has a molecular weight of 349.54 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106001847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).