1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide

C14H18N2O2S — CID 107857451

IUPAC1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide
SMILESC=CCN(CCC)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O2S/c1-3-9-16(10-4-2)19(17,18)12-14-7-5-13(11-15)6-8-14/h3,5-8H,1,4,9-10,12H2,2H3
InChIKeyANCDGDVPTYIZMZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.29
Rot. Bonds7

About 1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide

1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide (PubChem CID 107857451) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide
PubChem CID107857451
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide
SMILESC=CCN(CCC)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O2S/c1-3-9-16(10-4-2)19(17,18)12-14-7-5-13(11-15)6-8-14/h3,5-8H,1,4,9-10,12H2,2H3
InChIKeyANCDGDVPTYIZMZ-UHFFFAOYSA-N
XLogP2.29
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide
CID 107857512
N-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide
CID 64592151
1-bromo-N-[(4-cyanophenyl)methyl]-N-propylmethanesulfonamide
CID 83084263
1-chloro-N-[(4-cyanophenyl)methyl]-N-propylmethanesulfonamide
CID 63666805
1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide
CID 55225990
1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide
CID 43265953
4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid
CID 43362563
N-but-3-enyl-1-(4-cyanophenyl)methanesulfonamide
CID 113465544
1-(4-nitrophenyl)-N,N-dipropylmethanesulfonamide
CID 52561105
4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid
CID 103338521
N-[(4-cyanophenyl)methyl]-1-methyl-N-propylcyclopropane-1-sulfonamide
CID 136546172
1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide
CID 43272243

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide (CID 107857451) is 1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide is C=CCN(CCC)S(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide?
The InChIKey is ANCDGDVPTYIZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-9-16(10-4-2)19(17,18)12-14-7-5-13(11-15)6-8-14/h3,5-8H,1,4,9-10,12H2,2H3.
What are the key properties of 1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide?
1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-prop-2-enyl-N-propylmethanesulfonamide is sourced from PubChem (CID 107857451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).