4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide

C12H19NO3S2 — CID 114132125

IUPAC4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cc(CO)cs2)C1
InChIInChI=1S/C12H19NO3S2/c1-9-3-2-4-11(5-9)13-18(15,16)12-6-10(7-14)8-17-12/h6,8-9,11,13-14H,2-5,7H2,1H3
InChIKeyCIGKOWGNIDBECT-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.10
Rot. Bonds4

About 4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide

4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide (PubChem CID 114132125) has the molecular formula C12H19NO3S2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide
PubChem CID114132125
Molecular FormulaC12H19NO3S2
Molecular Weight289.42 g/mol
Exact Mass289.08
IUPAC Name4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cc(CO)cs2)C1
InChIInChI=1S/C12H19NO3S2/c1-9-3-2-4-11(5-9)13-18(15,16)12-6-10(7-14)8-17-12/h6,8-9,11,13-14H,2-5,7H2,1H3
InChIKeyCIGKOWGNIDBECT-UHFFFAOYSA-N
XLogP2.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551656
4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide
CID 114138567
4-(hydroxymethyl)-N-(2-methylcyclopentyl)thiophene-2-sulfonamide
CID 114134958
4-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106001293
5-(hydroxymethyl)-N-(3-methylcyclopentyl)thiophene-3-sulfonamide
CID 114551653
5-(hydroxymethyl)-N-(3-methylcyclopentyl)pyridine-2-sulfonamide
CID 114551682
N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065974
5-cyano-N-(3-methylcyclohexyl)thiophene-2-sulfonamide
CID 106267297
methyl 4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylate
CID 102747997
4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081596
N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106093112
4-(2-chloroethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 43662590

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide (CID 114132125) is 4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide is CC1CCCC(NS(=O)(=O)c2cc(CO)cs2)C1.
What is the InChIKey of 4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide?
The InChIKey is CIGKOWGNIDBECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S2/c1-9-3-2-4-11(5-9)13-18(15,16)12-6-10(7-14)8-17-12/h6,8-9,11,13-14H,2-5,7H2,1H3.
What are the key properties of 4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide?
4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide has a molecular weight of 289.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide is sourced from PubChem (CID 114132125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).