1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide

C13H16N2O2S — CID 106189115

IUPAC1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide
SMILESCC(C)=CCNS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C13H16N2O2S/c1-11(2)7-8-15-18(16,17)10-13-5-3-12(9-14)4-6-13/h3-7,15H,8,10H2,1-2H3
InChIKeyWZRFPMJTEDULBX-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.94
Rot. Bonds5

About 1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide

1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide (PubChem CID 106189115) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide
PubChem CID106189115
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide
SMILESCC(C)=CCNS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C13H16N2O2S/c1-11(2)7-8-15-18(16,17)10-13-5-3-12(9-14)4-6-13/h3-7,15H,8,10H2,1-2H3
InChIKeyWZRFPMJTEDULBX-UHFFFAOYSA-N
XLogP1.94
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-methylbut-2-enylamino)methyl]benzonitrile
CID 103527852
2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide
CID 103528203
N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide
CID 113465544
1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 43384860
1-(4-cyanophenyl)-N-(2,2-dimethylbutyl)methanesulfonamide
CID 103461770
1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide
CID 29275128
1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide
CID 61067577
2-[(4-cyanophenyl)methylsulfonylamino]ethylurea
CID 83110980
2-[[2-[(4-cyanophenyl)methylsulfonylamino]acetyl]amino]acetic acid
CID 43387978
4-[[4-(hydroxymethyl)phenyl]methylsulfonylmethyl]benzonitrile
CID 83519164
1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 29041806
1-(4-cyanophenyl)-N-(6-methyl-2-pyridinyl)methanesulfonamide
CID 29049983

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide (CID 106189115) is 1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide is CC(C)=CCNS(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide?
The InChIKey is WZRFPMJTEDULBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-11(2)7-8-15-18(16,17)10-13-5-3-12(9-14)4-6-13/h3-7,15H,8,10H2,1-2H3.
What are the key properties of 1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide?
1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide has a molecular weight of 264.35 g/mol, XLogP of 1.94, 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-(3-methylbut-2-enyl)methanesulfonamide is sourced from PubChem (CID 106189115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).