5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide

C15H25N3O2S — CID 103286784

IUPAC5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1N(C)C1CCCCCC1
InChIInChI=1S/C15H25N3O2S/c1-17-21(19,20)15-11-12(16)9-10-14(15)18(2)13-7-5-3-4-6-8-13/h9-11,13,17H,3-8,16H2,1-2H3
InChIKeyGCAJIPITLJZNKF-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.34
Rot. Bonds4

About 5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide

5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide (PubChem CID 103286784) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide
PubChem CID103286784
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1N(C)C1CCCCCC1
InChIInChI=1S/C15H25N3O2S/c1-17-21(19,20)15-11-12(16)9-10-14(15)18(2)13-7-5-3-4-6-8-13/h9-11,13,17H,3-8,16H2,1-2H3
InChIKeyGCAJIPITLJZNKF-UHFFFAOYSA-N
XLogP2.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[cyclopentylmethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103287062
5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide
CID 103286902
1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402832
5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide
CID 103286994
5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide
CID 103286765
5-amino-2-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286700
5-amino-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide
CID 103287528
N-cyclohexyl-N-methyl-2,4-bis(methylsulfonyl)aniline
CID 17420233
5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide
CID 102631363
5-amino-2-[2-cyanoethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286583
5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide
CID 103287184
1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103286895

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide (CID 103286784) is 5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1N(C)C1CCCCCC1.
What is the InChIKey of 5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is GCAJIPITLJZNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-17-21(19,20)15-11-12(16)9-10-14(15)18(2)13-7-5-3-4-6-8-13/h9-11,13,17H,3-8,16H2,1-2H3.
What are the key properties of 5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide?
5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 103286784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).