3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide

C15H24N2O2S — CID 79828479

IUPAC3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NC2CCCCC2(C)C)c1
InChIInChI=1S/C15H24N2O2S/c1-15(2)10-5-4-9-14(15)17-12-7-6-8-13(11-12)20(18,19)16-3/h6-8,11,14,16-17H,4-5,9-10H2,1-3H3
InChIKeyYSURPVVSIRDNSN-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.98
Rot. Bonds4

About 3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide

3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide (PubChem CID 79828479) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
PubChem CID79828479
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NC2CCCCC2(C)C)c1
InChIInChI=1S/C15H24N2O2S/c1-15(2)10-5-4-9-14(15)17-12-7-6-8-13(11-12)20(18,19)16-3/h6-8,11,14,16-17H,4-5,9-10H2,1-3H3
InChIKeyYSURPVVSIRDNSN-UHFFFAOYSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide (CID 79828479) is 3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(NC2CCCCC2(C)C)c1.
What is the InChIKey of 3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is YSURPVVSIRDNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-15(2)10-5-4-9-14(15)17-12-7-6-8-13(11-12)20(18,19)16-3/h6-8,11,14,16-17H,4-5,9-10H2,1-3H3.
What are the key properties of 3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 79828479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).