2-[(2-aminocyclohexyl)-methylamino]-N-methylbenzenesulfonamide

C14H23N3O2S — CID 102639688

IUPAC2-[(2-aminocyclohexyl)-methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N(C)C1CCCCC1N
InChIInChI=1S/C14H23N3O2S/c1-16-20(18,19)14-10-6-5-9-13(14)17(2)12-8-4-3-7-11(12)15/h5-6,9-12,16H,3-4,7-8,15H2,1-2H3
InChIKeyPVXOFZHOMRXGEA-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.30
Rot. Bonds4

About 2-[(2-aminocyclohexyl)-methylamino]-N-methylbenzenesulfonamide

2-[(2-aminocyclohexyl)-methylamino]-N-methylbenzenesulfonamide (PubChem CID 102639688) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[(2-aminocyclohexyl)-methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(2-aminocyclohexyl)-methylamino]-N-methylbenzenesulfonamide
PubChem CID102639688
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[(2-aminocyclohexyl)-methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N(C)C1CCCCC1N
InChIInChI=1S/C14H23N3O2S/c1-16-20(18,19)14-10-6-5-9-13(14)17(2)12-8-4-3-7-11(12)15/h5-6,9-12,16H,3-4,7-8,15H2,1-2H3
InChIKeyPVXOFZHOMRXGEA-UHFFFAOYSA-N
XLogP1.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexyl)-methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[(2-aminocyclohexyl)-methylamino]-N-methylbenzenesulfonamide (CID 102639688) is 2-[(2-aminocyclohexyl)-methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(2-aminocyclohexyl)-methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[(2-aminocyclohexyl)-methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1N(C)C1CCCCC1N.
What is the InChIKey of 2-[(2-aminocyclohexyl)-methylamino]-N-methylbenzenesulfonamide?
The InChIKey is PVXOFZHOMRXGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-16-20(18,19)14-10-6-5-9-13(14)17(2)12-8-4-3-7-11(12)15/h5-6,9-12,16H,3-4,7-8,15H2,1-2H3.
What are the key properties of 2-[(2-aminocyclohexyl)-methylamino]-N-methylbenzenesulfonamide?
2-[(2-aminocyclohexyl)-methylamino]-N-methylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexyl)-methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 102639688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).