2-amino-N,6-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide

C15H24N2O2S — CID 61104917

IUPAC2-amino-N,6-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C15H24N2O2S/c1-11-7-9-13(10-8-11)17(3)20(18,19)15-12(2)5-4-6-14(15)16/h4-6,11,13H,7-10,16H2,1-3H3
InChIKeyZJMJBJXQNHTYRQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.78
Rot. Bonds3

About 2-amino-N,6-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide

2-amino-N,6-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide (PubChem CID 61104917) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-amino-N,6-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,6-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide
PubChem CID61104917
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-amino-N,6-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C15H24N2O2S/c1-11-7-9-13(10-8-11)17(3)20(18,19)15-12(2)5-4-6-14(15)16/h4-6,11,13H,7-10,16H2,1-3H3
InChIKeyZJMJBJXQNHTYRQ-UHFFFAOYSA-N
XLogP2.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N,6-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62002027
2-amino-N-cyclopropyl-6-methylbenzenesulfonamide
CID 43452334
2-amino-N',N',6-trimethylbenzenesulfonohydrazide
CID 83013451
2-amino-6-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62397102
2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411164
2-amino-N,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79303401
3-N,2-dimethyl-3-N-(4-methylcyclohexyl)benzene-1,3-diamine
CID 63076254
2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43383281
2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
CID 62335547
2-(2,4-dimethylpiperidin-1-yl)sulfonyl-3-methylaniline
CID 62332105
2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide
CID 61466874
2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
CID 114230029

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,6-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-amino-N,6-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide (CID 61104917) is 2-amino-N,6-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N,6-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N,6-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)N(C)C1CCC(C)CC1.
What is the InChIKey of 2-amino-N,6-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide?
The InChIKey is ZJMJBJXQNHTYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-7-9-13(10-8-11)17(3)20(18,19)15-12(2)5-4-6-14(15)16/h4-6,11,13H,7-10,16H2,1-3H3.
What are the key properties of 2-amino-N,6-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide?
2-amino-N,6-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,6-dimethyl-N-(4-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 61104917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).