5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide

C13H22N2O2S2 — CID 106071365

IUPAC5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide
SMILESCC1(C)CCCCC1NS(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C13H22N2O2S2/c1-13(2)6-4-3-5-12(13)15-19(16,17)11-7-10(8-14)18-9-11/h7,9,12,15H,3-6,8,14H2,1-2H3
InChIKeyVQCLFTLWNHSVJP-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.45
Rot. Bonds4

About 5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide

5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide (PubChem CID 106071365) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide
PubChem CID106071365
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC Name5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide
SMILESCC1(C)CCCCC1NS(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C13H22N2O2S2/c1-13(2)6-4-3-5-12(13)15-19(16,17)11-7-10(8-14)18-9-11/h7,9,12,15H,3-6,8,14H2,1-2H3
InChIKeyVQCLFTLWNHSVJP-UHFFFAOYSA-N
XLogP2.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141650
2-(aminomethyl)-N-(2,2-dimethylcyclopentyl)thiophene-3-sulfonamide
CID 106071021
5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1-methylpyrrole-3-sulfonamide
CID 106070972
5-(aminomethyl)-N-[(2-methylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106018473
4-[(2,2-dimethylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 79871097
3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 79865271
5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]thiophene-3-sulfonamide
CID 114102371
N-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide
CID 59891712
5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide
CID 79871007
5-[(2,2-dimethylcyclohexyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614590
N-(2,2-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106071372
5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 114141274

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide (CID 106071365) is 5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide is CC1(C)CCCCC1NS(=O)(=O)c1csc(CN)c1.
What is the InChIKey of 5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide?
The InChIKey is VQCLFTLWNHSVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-13(2)6-4-3-5-12(13)15-19(16,17)11-7-10(8-14)18-9-11/h7,9,12,15H,3-6,8,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide?
5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide has a molecular weight of 302.47 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106071365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).