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

C15H24N2O2S — CID 79860965

IUPAC5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC2CCCC2(C)C)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-8-12(16)9-13(11(10)2)20(18,19)17-14-6-5-7-15(14,3)4/h8-9,14,17H,5-7,16H2,1-4H3
InChIKeyWMZFNNBXNSIELF-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.74
Rot. Bonds3

About 5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide

5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 79860965) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide
PubChem CID79860965
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC2CCCC2(C)C)c1C
InChIInChI=1S/C15H24N2O2S/c1-10-8-12(16)9-13(11(10)2)20(18,19)17-14-6-5-7-15(14,3)4/h8-9,14,17H,5-7,16H2,1-4H3
InChIKeyWMZFNNBXNSIELF-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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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide (CID 79860965) is 5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NC2CCCC2(C)C)c1C.
What is the InChIKey of 5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is WMZFNNBXNSIELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10-8-12(16)9-13(11(10)2)20(18,19)17-14-6-5-7-15(14,3)4/h8-9,14,17H,5-7,16H2,1-4H3.
What are the key properties of 5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide?
5-amino-N-(2,2-dimethylcyclopentyl)-2,3-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 5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 79860965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).