5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide

C13H22N2O2S2 — CID 106018473

IUPAC5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide
SMILESCC1CCCCC1CNS(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C13H22N2O2S2/c1-10-4-2-3-5-11(10)8-15-19(16,17)13-6-12(7-14)18-9-13/h6,9-11,15H,2-5,7-8,14H2,1H3
InChIKeyBWKUZFTYUDNIER-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.31
Rot. Bonds5

About 5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide

5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide (PubChem CID 106018473) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide
PubChem CID106018473
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC Name5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide
SMILESCC1CCCCC1CNS(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C13H22N2O2S2/c1-10-4-2-3-5-11(10)8-15-19(16,17)13-6-12(7-14)18-9-13/h6,9-11,15H,2-5,7-8,14H2,1H3
InChIKeyBWKUZFTYUDNIER-UHFFFAOYSA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 114141274
5-(aminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088377
2-(aminomethyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088307
3-amino-4-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
CID 115421485
5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide
CID 106071365
3-(aminomethyl)-4-chloro-5-fluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 106088390
3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416445
5-(aminomethyl)-2-bromo-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
CID 106018509
N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-4-sulfonamide
CID 107420200
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]thiophene-3-sulfonamide
CID 106026780
5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 114102371
5-(aminomethyl)-N-(2,2-difluoroethyl)thiophene-3-sulfonamide
CID 115409051

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide (CID 106018473) is 5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide is CC1CCCCC1CNS(=O)(=O)c1csc(CN)c1.
What is the InChIKey of 5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide?
The InChIKey is BWKUZFTYUDNIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-10-4-2-3-5-11(10)8-15-19(16,17)13-6-12(7-14)18-9-13/h6,9-11,15H,2-5,7-8,14H2,1H3.
What are the key properties of 5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide?
5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide has a molecular weight of 302.47 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106018473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).