5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide

C15H24N2O2S — CID 114545529

IUPAC5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(CN)cc1S(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C15H24N2O2S/c1-11-4-5-12(10-16)8-14(11)20(18,19)17-13-6-7-15(2,3)9-13/h4-5,8,13,17H,6-7,9-10,16H2,1-3H3
InChIKeyKPWFTDXUOYATOH-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.31
Rot. Bonds4

About 5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide

5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide (PubChem CID 114545529) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide
PubChem CID114545529
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(CN)cc1S(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C15H24N2O2S/c1-11-4-5-12(10-16)8-14(11)20(18,19)17-13-6-7-15(2,3)9-13/h4-5,8,13,17H,6-7,9-10,16H2,1-3H3
InChIKeyKPWFTDXUOYATOH-UHFFFAOYSA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
CID 102704778
5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467168
2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide
CID 102921092
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide
CID 106997091
3-amino-N-(3,3-dimethylcyclopentyl)-2,6-dimethylbenzenesulfonamide
CID 114542968
5-amino-N-(3,3-dimethylcyclopentyl)-2-methoxy-4-methylbenzenesulfonamide
CID 114542964
5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide
CID 64921745
3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 114552139
N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide
CID 114548715
N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide
CID 114545447
4-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-3-methylbenzenesulfonamide
CID 106919518
N-(3,3-dimethylcyclopentyl)-2-(ethylamino)benzenesulfonamide
CID 114551008

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide (CID 114545529) is 5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide is Cc1ccc(CN)cc1S(=O)(=O)NC1CCC(C)(C)C1.
What is the InChIKey of 5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide?
The InChIKey is KPWFTDXUOYATOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-4-5-12(10-16)8-14(11)20(18,19)17-13-6-7-15(2,3)9-13/h4-5,8,13,17H,6-7,9-10,16H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide?
5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 114545529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).