N-[[(2E)-2-methoxyimino-4-prop-1-en-2-ylcyclohexyl]methyl]-4-methylbenzenesulfonamide

C18H26N2O3S — CID 177460840

IUPACN-[[(2E)-2-methoxyimino-4-prop-1-en-2-ylcyclohexyl]methyl]-4-methylbenzenesulfonamide
SMILESC=C(C)C1CCC(CNS(=O)(=O)c2ccc(C)cc2)/C(=N/OC)C1
InChIInChI=1S/C18H26N2O3S/c1-13(2)15-7-8-16(18(11-15)20-23-4)12-19-24(21,22)17-9-5-14(3)6-10-17/h5-6,9-10,15-16,19H,1,7-8,11-12H2,2-4H3/b20-18+
InChIKeyNNDWKGHXOUYFHI-CZIZESTLSA-N
MW350.48 g/mol
LogP3.27
Rot. Bonds6

About N-[[(2E)-2-methoxyimino-4-prop-1-en-2-ylcyclohexyl]methyl]-4-methylbenzenesulfonamide

N-[[(2E)-2-methoxyimino-4-prop-1-en-2-ylcyclohexyl]methyl]-4-methylbenzenesulfonamide (PubChem CID 177460840) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[[(2E)-2-methoxyimino-4-prop-1-en-2-ylcyclohexyl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2E)-2-methoxyimino-4-prop-1-en-2-ylcyclohexyl]methyl]-4-methylbenzenesulfonamide
PubChem CID177460840
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-[[(2E)-2-methoxyimino-4-prop-1-en-2-ylcyclohexyl]methyl]-4-methylbenzenesulfonamide
SMILESC=C(C)C1CCC(CNS(=O)(=O)c2ccc(C)cc2)/C(=N/OC)C1
InChIInChI=1S/C18H26N2O3S/c1-13(2)15-7-8-16(18(11-15)20-23-4)12-19-24(21,22)17-9-5-14(3)6-10-17/h5-6,9-10,15-16,19H,1,7-8,11-12H2,2-4H3/b20-18+
InChIKeyNNDWKGHXOUYFHI-CZIZESTLSA-N
XLogP3.27
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
N-[(4-methylphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 4156842
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 71213352
N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide
CID 16723470
N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide
CID 6390629
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 5323340
4-methyl-N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 998279
1-methyl-4-[[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]methylsulfonyl]benzene
CID 11266702
4-methyl-N-[[(2R)-oxiran-2-yl]methyl]benzenesulfonamide
CID 10398836
4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 47190253
N-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide
CID 102100745
N-butyl-N-methyl-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 15995514

Frequently Asked Questions

What is the IUPAC name of N-[[(2E)-2-methoxyimino-4-prop-1-en-2-ylcyclohexyl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[(2E)-2-methoxyimino-4-prop-1-en-2-ylcyclohexyl]methyl]-4-methylbenzenesulfonamide (CID 177460840) is N-[[(2E)-2-methoxyimino-4-prop-1-en-2-ylcyclohexyl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[(2E)-2-methoxyimino-4-prop-1-en-2-ylcyclohexyl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[(2E)-2-methoxyimino-4-prop-1-en-2-ylcyclohexyl]methyl]-4-methylbenzenesulfonamide is C=C(C)C1CCC(CNS(=O)(=O)c2ccc(C)cc2)/C(=N/OC)C1.
What is the InChIKey of N-[[(2E)-2-methoxyimino-4-prop-1-en-2-ylcyclohexyl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is NNDWKGHXOUYFHI-CZIZESTLSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-13(2)15-7-8-16(18(11-15)20-23-4)12-19-24(21,22)17-9-5-14(3)6-10-17/h5-6,9-10,15-16,19H,1,7-8,11-12H2,2-4H3/b20-18+.
What are the key properties of N-[[(2E)-2-methoxyimino-4-prop-1-en-2-ylcyclohexyl]methyl]-4-methylbenzenesulfonamide?
N-[[(2E)-2-methoxyimino-4-prop-1-en-2-ylcyclohexyl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 350.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2E)-2-methoxyimino-4-prop-1-en-2-ylcyclohexyl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 177460840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).