1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide

C16H20N2O2S — CID 60697689

IUPAC1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C16H20N2O2S/c17-12-15-6-8-16(9-7-15)13-21(19,20)18-11-10-14-4-2-1-3-5-14/h4,6-9,18H,1-3,5,10-11,13H2
InChIKeyZPOBCQXPKDGLNC-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.87
Rot. Bonds6

About 1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide

1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide (PubChem CID 60697689) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide
PubChem CID60697689
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C16H20N2O2S/c17-12-15-6-8-16(9-7-15)13-21(19,20)18-11-10-14-4-2-1-3-5-14/h4,6-9,18H,1-3,5,10-11,13H2
InChIKeyZPOBCQXPKDGLNC-UHFFFAOYSA-N
XLogP2.87
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 28620853
1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide
CID 103844643
1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide
CID 62664800
N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide
CID 113465544
2-[(4-cyanophenyl)methyl]-1-[2-(cyclohexen-1-yl)ethyl]-3-ethylguanidine
CID 111208438
(2R)-2-(4-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7503312
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)ethanesulfonamide
CID 110299915
N-(4-cyanophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
CID 109299453
3-[2-(cyclohexen-1-yl)ethylamino]benzonitrile
CID 84617985
2-[(4-cyanophenyl)methylsulfonylamino]ethylurea
CID 83110980
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7978117
3-[2-(cyclohexen-1-yl)ethylamino]-5-fluorobenzonitrile
CID 102815512

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide (CID 60697689) is 1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide is N#Cc1ccc(CS(=O)(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide?
The InChIKey is ZPOBCQXPKDGLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c17-12-15-6-8-16(9-7-15)13-21(19,20)18-11-10-14-4-2-1-3-5-14/h4,6-9,18H,1-3,5,10-11,13H2.
What are the key properties of 1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide?
1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide has a molecular weight of 304.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-[2-(cyclohexen-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 60697689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).