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

C15H24N2O2S — CID 114542968

IUPAC3-amino-N-(3,3-dimethylcyclopentyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C15H24N2O2S/c1-10-5-6-13(16)11(2)14(10)20(18,19)17-12-7-8-15(3,4)9-12/h5-6,12,17H,7-9,16H2,1-4H3
InChIKeyFHYGPVCBKVXXST-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.74
Rot. Bonds3

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

3-amino-N-(3,3-dimethylcyclopentyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 114542968) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-amino-N-(3,3-dimethylcyclopentyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3,3-dimethylcyclopentyl)-2,6-dimethylbenzenesulfonamide
PubChem CID114542968
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-amino-N-(3,3-dimethylcyclopentyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C15H24N2O2S/c1-10-5-6-13(16)11(2)14(10)20(18,19)17-12-7-8-15(3,4)9-12/h5-6,12,17H,7-9,16H2,1-4H3
InChIKeyFHYGPVCBKVXXST-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

3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide
CID 43256969
N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide
CID 114545447
5-amino-N-(3,3-dimethylcyclopentyl)-2-methoxy-4-methylbenzenesulfonamide
CID 114542964
5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide
CID 114545529
3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide
CID 43257138
5-chloro-N-(3,3-dimethylcyclopentyl)thiophene-2-sulfonamide
CID 115881167
3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide
CID 61466577
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2,6-dimethylbenzenesulfonamide
CID 43257654
N-(3,3-dimethylcyclopentyl)-2-hydroxybenzenesulfonamide
CID 114548715
3-amino-2,6-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80714898
5-amino-2-bromo-N-(3,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 114542992
3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide
CID 106503553

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,3-dimethylcyclopentyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(3,3-dimethylcyclopentyl)-2,6-dimethylbenzenesulfonamide (CID 114542968) is 3-amino-N-(3,3-dimethylcyclopentyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3,3-dimethylcyclopentyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3,3-dimethylcyclopentyl)-2,6-dimethylbenzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)NC1CCC(C)(C)C1.
What is the InChIKey of 3-amino-N-(3,3-dimethylcyclopentyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is FHYGPVCBKVXXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-5-6-13(16)11(2)14(10)20(18,19)17-12-7-8-15(3,4)9-12/h5-6,12,17H,7-9,16H2,1-4H3.
What are the key properties of 3-amino-N-(3,3-dimethylcyclopentyl)-2,6-dimethylbenzenesulfonamide?
3-amino-N-(3,3-dimethylcyclopentyl)-2,6-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 3-amino-N-(3,3-dimethylcyclopentyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 114542968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).