5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide

C16H26N2O2S — CID 64921745

IUPAC5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cc(CN)ccc2C)C1C
InChIInChI=1S/C16H26N2O2S/c1-4-14-7-8-15(12(14)3)18-21(19,20)16-9-13(10-17)6-5-11(16)2/h5-6,9,12,14-15,18H,4,7-8,10,17H2,1-3H3
InChIKeyLFWSOOSVIYSFGJ-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.56
Rot. Bonds5

About 5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide

5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide (PubChem CID 64921745) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide
PubChem CID64921745
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cc(CN)ccc2C)C1C
InChIInChI=1S/C16H26N2O2S/c1-4-14-7-8-15(12(14)3)18-21(19,20)16-9-13(10-17)6-5-11(16)2/h5-6,9,12,14-15,18H,4,7-8,10,17H2,1-3H3
InChIKeyLFWSOOSVIYSFGJ-UHFFFAOYSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467168
4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 106069126
3-amino-N-(3-ethyl-2-methylcyclopentyl)-2,4-difluorobenzenesulfonamide
CID 107343626
5-(aminomethyl)-2-bromo-N-(2,4-dimethylcyclohexyl)benzenesulfonamide
CID 106063422
5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide
CID 114545529
4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106002905
4-(ethylamino)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64915651
5-(aminomethyl)-2-bromo-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 106053096
5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide
CID 64916624
N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide
CID 81258221
5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089158
3-bromo-N-(3-ethyl-2-methylcyclopentyl)thiophene-2-sulfonamide
CID 64916244

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide (CID 64921745) is 5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide is CCC1CCC(NS(=O)(=O)c2cc(CN)ccc2C)C1C.
What is the InChIKey of 5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide?
The InChIKey is LFWSOOSVIYSFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-14-7-8-15(12(14)3)18-21(19,20)16-9-13(10-17)6-5-11(16)2/h5-6,9,12,14-15,18H,4,7-8,10,17H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide?
5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 64921745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).