N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide

C15H21NO2S — CID 57149515

IUPACN-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)C2=CCCCC2)cc1
InChIInChI=1S/C15H21NO2S/c1-12-8-10-15(11-9-12)19(17,18)16-13(2)14-6-4-3-5-7-14/h6,8-11,13,16H,3-5,7H2,1-2H3/t13-/m1/s1
InChIKeyJGXLGEPLBYDONH-CYBMUJFWSA-N
MW279.40 g/mol
LogP3.16
Rot. Bonds4

About N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide

N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 57149515) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide
PubChem CID57149515
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C)C2=CCCCC2)cc1
InChIInChI=1S/C15H21NO2S/c1-12-8-10-15(11-9-12)19(17,18)16-13(2)14-6-4-3-5-7-14/h6,8-11,13,16H,3-5,7H2,1-2H3/t13-/m1/s1
InChIKeyJGXLGEPLBYDONH-CYBMUJFWSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexene
CID 131891661
4-methyl-N-[[(1Z)-8-oxocycloocten-1-yl]-phenylmethyl]benzenesulfonamide
CID 101213725
N-[(4-chlorophenyl)-(7-oxocyclohepten-1-yl)methyl]-4-methylbenzenesulfonamide
CID 11058536
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 3637173
4-methyl-N'-propan-2-ylbenzenesulfonohydrazide
CID 14470803
N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide
CID 56748735
N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide
CID 135004649
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
1-(cyclohexen-1-yl)-4-methyl-2-(4-methylphenyl)sulfonylpenta-2,3-dien-1-ol
CID 132600200
(1Z)-1-(4-methylphenyl)sulfonylcyclododecene
CID 134942172
N-[(1S)-5-(cyclohexen-1-yl)-1-phenylpenta-2,4-diynyl]-4-methylbenzenesulfonamide
CID 102313854
1-(cycloocten-1-yl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 106656405

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide (CID 57149515) is N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](C)C2=CCCCC2)cc1.
What is the InChIKey of N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is JGXLGEPLBYDONH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-12-8-10-15(11-9-12)19(17,18)16-13(2)14-6-4-3-5-7-14/h6,8-11,13,16H,3-5,7H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide?
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 279.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 57149515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).