N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide

C15H22N2O2S — CID 59365939

IUPACN-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=C2CCC(C)(C)CC2)cc1
InChIInChI=1S/C15H22N2O2S/c1-12-4-6-14(7-5-12)20(18,19)17-16-13-8-10-15(2,3)11-9-13/h4-7,17H,8-11H2,1-3H3
InChIKeyHKVYGBXHFFADLU-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.23
Rot. Bonds3

About N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide

N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide (PubChem CID 59365939) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
PubChem CID59365939
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=C2CCC(C)(C)CC2)cc1
InChIInChI=1S/C15H22N2O2S/c1-12-4-6-14(7-5-12)20(18,19)17-16-13-8-10-15(2,3)11-9-13/h4-7,17H,8-11H2,1-3H3
InChIKeyHKVYGBXHFFADLU-UHFFFAOYSA-N
XLogP3.23
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3540750
4-methyl-N-[(E)-oxan-3-ylideneamino]benzenesulfonamide
CID 5465868
N-[(E)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]amino]-4-methylbenzenesulfonamide
CID 98513345
4-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide
CID 7115137
N-[(E)-[(1R,4S,7R)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-4-methylbenzenesulfonamide
CID 98518220
4-methyl-N-[(4-naphthalen-1-ylcyclohexylidene)amino]benzenesulfonamide
CID 134382089
4-methyl-N-[[(1S,4R,6S,9R)-12-[(4-methylphenyl)sulfonylhydrazinylidene]-5-tetracyclo[7.2.1.04,11.06,10]dodecanylidene]amino]benzenesulfonamide
CID 125034492
N-[[4-(benzenesulfonylhydrazinylidene)cyclohexylidene]amino]benzenesulfonamide
CID 171981444
N-[(E)-[(3R,3aR,8aR)-3-hydroxy-3,8,8-trimethyl-2,3a,5,6,7,8a-hexahydro-1H-azulen-4-ylidene]amino]-4-methylbenzenesulfonamide
CID 139095698
4-methyl-N-[[(4S)-4-methyl-4-phenylcyclohex-2-en-1-ylidene]amino]benzenesulfonamide
CID 163067301
4-methyl-N-[(Z)-3-tricyclo[2.2.1.02,6]heptanylideneamino]benzenesulfonamide
CID 54601490
4-methyl-N-[(E)-(3-methylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide
CID 6162685

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide (CID 59365939) is N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NN=C2CCC(C)(C)CC2)cc1.
What is the InChIKey of N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide?
The InChIKey is HKVYGBXHFFADLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-12-4-6-14(7-5-12)20(18,19)17-16-13-8-10-15(2,3)11-9-13/h4-7,17H,8-11H2,1-3H3.
What are the key properties of N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide?
N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 59365939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).