2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide

C15H24N2O2S — CID 103171642

IUPAC2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCCC2(C)C)c1N
InChIInChI=1S/C15H24N2O2S/c1-10-7-8-11(2)14(13(10)16)20(18,19)17-12-6-5-9-15(12,3)4/h7-8,12,17H,5-6,9,16H2,1-4H3
InChIKeySFPYJRUJJTZIRX-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.74
Rot. Bonds3

About 2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide

2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide (PubChem CID 103171642) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide
PubChem CID103171642
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCCC2(C)C)c1N
InChIInChI=1S/C15H24N2O2S/c1-10-7-8-11(2)14(13(10)16)20(18,19)17-12-6-5-9-15(12,3)4/h7-8,12,17H,5-6,9,16H2,1-4H3
InChIKeySFPYJRUJJTZIRX-UHFFFAOYSA-N
XLogP2.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylcyclopentyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327301
4-amino-2,6-dichloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861863
2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,6-dimethylbenzenesulfonamide
CID 103171883
2-amino-6-chloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79860879
5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide
CID 79860965
2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
CID 79861056
2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861380
2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 79861785
N-(2,2-dimethylcyclopentyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070986
4-amino-N-(2,2-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
CID 79861704
N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 79833951
2-amino-N-(2,2-dimethylcyclopentyl)-5-nitrobenzenesulfonamide
CID 79870393

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide (CID 103171642) is 2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC2CCCC2(C)C)c1N.
What is the InChIKey of 2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide?
The InChIKey is SFPYJRUJJTZIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-7-8-11(2)14(13(10)16)20(18,19)17-12-6-5-9-15(12,3)4/h7-8,12,17H,5-6,9,16H2,1-4H3.
What are the key properties of 2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide?
2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethylcyclopentyl)-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 103171642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).