1-(4-cyanophenyl)-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide

C15H18N2O2S — CID 107857409

IUPAC1-(4-cyanophenyl)-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)NCC2CC=CCC2)cc1
InChIInChI=1S/C15H18N2O2S/c16-10-13-6-8-15(9-7-13)12-20(18,19)17-11-14-4-2-1-3-5-14/h1-2,6-9,14,17H,3-5,11-12H2
InChIKeyWLIPJWUOZMGTNK-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.33
Rot. Bonds5

About 1-(4-cyanophenyl)-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide

1-(4-cyanophenyl)-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide (PubChem CID 107857409) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide
PubChem CID107857409
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(4-cyanophenyl)-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)NCC2CC=CCC2)cc1
InChIInChI=1S/C15H18N2O2S/c16-10-13-6-8-15(9-7-13)12-20(18,19)17-11-14-4-2-1-3-5-14/h1-2,6-9,14,17H,3-5,11-12H2
InChIKeyWLIPJWUOZMGTNK-UHFFFAOYSA-N
XLogP2.33
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.33
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

1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide
CID 62664800
1-chloro-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide
CID 63664366
1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107418691
2-cyano-N-(cyclohex-3-en-1-ylmethyl)-3-fluorobenzenesulfonamide
CID 103833545
1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide
CID 79117976
3-(cyclohex-3-en-1-ylmethylamino)benzonitrile
CID 43201265
N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide
CID 62268773
4-[[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 63263871
1-(4-cyanophenyl)-N-(1,1-dioxothian-4-yl)methanesulfonamide
CID 43615313
N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide
CID 106441026
2-[(4-cyanophenyl)methylsulfonylamino]ethylurea
CID 83110980
1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide
CID 106384997

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide (CID 107857409) is 1-(4-cyanophenyl)-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide is N#Cc1ccc(CS(=O)(=O)NCC2CC=CCC2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide?
The InChIKey is WLIPJWUOZMGTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c16-10-13-6-8-15(9-7-13)12-20(18,19)17-11-14-4-2-1-3-5-14/h1-2,6-9,14,17H,3-5,11-12H2.
What are the key properties of 1-(4-cyanophenyl)-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide?
1-(4-cyanophenyl)-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(cyclohex-3-en-1-ylmethyl)methanesulfonamide is sourced from PubChem (CID 107857409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).