1-(2-cyanophenyl)-N-ethyl-N-(2-methylprop-2-enyl)methanesulfonamide

C14H18N2O2S — CID 103604458

IUPAC1-(2-cyanophenyl)-N-ethyl-N-(2-methylprop-2-enyl)methanesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)Cc1ccccc1C#N
InChIInChI=1S/C14H18N2O2S/c1-4-16(10-12(2)3)19(17,18)11-14-8-6-5-7-13(14)9-15/h5-8H,2,4,10-11H2,1,3H3
InChIKeyLBFMDIJRIQYNGA-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.29
Rot. Bonds6

About 1-(2-cyanophenyl)-N-ethyl-N-(2-methylprop-2-enyl)methanesulfonamide

1-(2-cyanophenyl)-N-ethyl-N-(2-methylprop-2-enyl)methanesulfonamide (PubChem CID 103604458) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-ethyl-N-(2-methylprop-2-enyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-ethyl-N-(2-methylprop-2-enyl)methanesulfonamide
PubChem CID103604458
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-(2-cyanophenyl)-N-ethyl-N-(2-methylprop-2-enyl)methanesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)Cc1ccccc1C#N
InChIInChI=1S/C14H18N2O2S/c1-4-16(10-12(2)3)19(17,18)11-14-8-6-5-7-13(14)9-15/h5-8H,2,4,10-11H2,1,3H3
InChIKeyLBFMDIJRIQYNGA-UHFFFAOYSA-N
XLogP2.29
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-ethyl-N-(2-methylprop-2-enyl)methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-ethyl-N-(2-methylprop-2-enyl)methanesulfonamide (CID 103604458) is 1-(2-cyanophenyl)-N-ethyl-N-(2-methylprop-2-enyl)methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-ethyl-N-(2-methylprop-2-enyl)methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-ethyl-N-(2-methylprop-2-enyl)methanesulfonamide is C=C(C)CN(CC)S(=O)(=O)Cc1ccccc1C#N.
What is the InChIKey of 1-(2-cyanophenyl)-N-ethyl-N-(2-methylprop-2-enyl)methanesulfonamide?
The InChIKey is LBFMDIJRIQYNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-16(10-12(2)3)19(17,18)11-14-8-6-5-7-13(14)9-15/h5-8H,2,4,10-11H2,1,3H3.
What are the key properties of 1-(2-cyanophenyl)-N-ethyl-N-(2-methylprop-2-enyl)methanesulfonamide?
1-(2-cyanophenyl)-N-ethyl-N-(2-methylprop-2-enyl)methanesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-ethyl-N-(2-methylprop-2-enyl)methanesulfonamide is sourced from PubChem (CID 103604458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).