4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide

C13H22N2O2S3 — CID 106091472

IUPAC4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NC2CCCCC2SC)c1
InChIInChI=1S/C13H22N2O2S3/c1-14-8-10-7-13(19-9-10)20(16,17)15-11-5-3-4-6-12(11)18-2/h7,9,11-12,14-15H,3-6,8H2,1-2H3
InChIKeyHJLXEPJRAFDHTC-UHFFFAOYSA-N
MW334.53 g/mol
LogP2.42
Rot. Bonds6

About 4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide

4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide (PubChem CID 106091472) has the molecular formula C13H22N2O2S3 and a molecular weight of 334.53 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
PubChem CID106091472
Molecular FormulaC13H22N2O2S3
Molecular Weight334.53 g/mol
Exact Mass334.08
IUPAC Name4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NC2CCCCC2SC)c1
InChIInChI=1S/C13H22N2O2S3/c1-14-8-10-7-13(19-9-10)20(16,17)15-11-5-3-4-6-12(11)18-2/h7,9,11-12,14-15H,3-6,8H2,1-2H3
InChIKeyHJLXEPJRAFDHTC-UHFFFAOYSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106001293
4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106090814
4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 106091673
4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081596
N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065974
5-[2-(methylamino)ethyl]-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091476
4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 114140871
N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106093112
4-(methylaminomethyl)-N-(1-propylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106001510
5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106001276
5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
CID 103739668
4-(hydroxymethyl)-N-(2-methylcyclopentyl)thiophene-2-sulfonamide
CID 114134958

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide (CID 106091472) is 4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)NC2CCCCC2SC)c1.
What is the InChIKey of 4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
The InChIKey is HJLXEPJRAFDHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S3/c1-14-8-10-7-13(19-9-10)20(16,17)15-11-5-3-4-6-12(11)18-2/h7,9,11-12,14-15H,3-6,8H2,1-2H3.
What are the key properties of 4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide has a molecular weight of 334.53 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106091472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).