1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide

C14H22N2O2S — CID 64909059

IUPAC1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide
SMILESCC1CCC(NS(=O)(=O)Cc2ccc(N)cc2)C1C
InChIInChI=1S/C14H22N2O2S/c1-10-3-8-14(11(10)2)16-19(17,18)9-12-4-6-13(15)7-5-12/h4-7,10-11,14,16H,3,8-9,15H2,1-2H3
InChIKeyARHMDCZXVYPIAK-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.12
Rot. Bonds4

About 1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide

1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide (PubChem CID 64909059) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide
PubChem CID64909059
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide
SMILESCC1CCC(NS(=O)(=O)Cc2ccc(N)cc2)C1C
InChIInChI=1S/C14H22N2O2S/c1-10-3-8-14(11(10)2)16-19(17,18)9-12-4-6-13(15)7-5-12/h4-7,10-11,14,16H,3,8-9,15H2,1-2H3
InChIKeyARHMDCZXVYPIAK-UHFFFAOYSA-N
XLogP2.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(2,3-dimethylcyclopentyl)sulfamoylmethyl]benzenecarbothioamide
CID 64910438
1-(4-aminophenyl)-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 106358787
N-(2,3-dimethylcyclopentyl)propane-1-sulfonamide
CID 64923274
1-(4-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)methanesulfonamide
CID 83012753
5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64909057
1-(4-aminophenyl)-N-propylmethanesulfonamide
CID 28546657
N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide
CID 64920857
2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide
CID 107652077
5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide
CID 64921051
1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide
CID 64655698
4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 106069126
5-amino-N-(2,3-dimethylcyclopentyl)-2-nitrobenzenesulfonamide
CID 64923648

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide (CID 64909059) is 1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide is CC1CCC(NS(=O)(=O)Cc2ccc(N)cc2)C1C.
What is the InChIKey of 1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide?
The InChIKey is ARHMDCZXVYPIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-3-8-14(11(10)2)16-19(17,18)9-12-4-6-13(15)7-5-12/h4-7,10-11,14,16H,3,8-9,15H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide?
1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(2,3-dimethylcyclopentyl)methanesulfonamide is sourced from PubChem (CID 64909059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).