5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide

C13H22N2O2S3 — CID 106091372

IUPAC5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
SMILESCSC1CCCC(NS(=O)(=O)c2cc(CN)sc2C)C1
InChIInChI=1S/C13H22N2O2S3/c1-9-13(7-12(8-14)19-9)20(16,17)15-10-4-3-5-11(6-10)18-2/h7,10-11,15H,3-6,8,14H2,1-2H3
InChIKeyLJFMJVOGBHYUAQ-UHFFFAOYSA-N
MW334.53 g/mol
LogP2.47
Rot. Bonds5

About 5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide

5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide (PubChem CID 106091372) has the molecular formula C13H22N2O2S3 and a molecular weight of 334.53 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
PubChem CID106091372
Molecular FormulaC13H22N2O2S3
Molecular Weight334.53 g/mol
Exact Mass334.08
IUPAC Name5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
SMILESCSC1CCCC(NS(=O)(=O)c2cc(CN)sc2C)C1
InChIInChI=1S/C13H22N2O2S3/c1-9-13(7-12(8-14)19-9)20(16,17)15-10-4-3-5-11(6-10)18-2/h7,10-11,15H,3-6,8,14H2,1-2H3
InChIKeyLJFMJVOGBHYUAQ-UHFFFAOYSA-N
XLogP2.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-bromo-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106091344
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide
CID 106053111
3-(aminomethyl)-5-methyl-N-(3-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 106091380
5-(aminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088377
5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-sulfonamide
CID 106092486
5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide
CID 106067327
5-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091338
5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091389
4-(hydroxymethyl)-2,5-dimethyl-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106001244
4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63329014
N-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106072978
5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylthiophene-3-sulfonamide
CID 106059671

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide (CID 106091372) is 5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide is CSC1CCCC(NS(=O)(=O)c2cc(CN)sc2C)C1.
What is the InChIKey of 5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide?
The InChIKey is LJFMJVOGBHYUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S3/c1-9-13(7-12(8-14)19-9)20(16,17)15-10-4-3-5-11(6-10)18-2/h7,10-11,15H,3-6,8,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide?
5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide has a molecular weight of 334.53 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106091372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).