N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide

C13H16N2O2S — CID 64987558

IUPACN-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide
SMILESCN(Cc1cccc(C#N)c1)S(=O)(=O)CC1CC1
InChIInChI=1S/C13H16N2O2S/c1-15(18(16,17)10-11-5-6-11)9-13-4-2-3-12(7-13)8-14/h2-4,7,11H,5-6,9-10H2,1H3
InChIKeyZOXAWDMGIUZEGU-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.73
Rot. Bonds5

About N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide

N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide (PubChem CID 64987558) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide
PubChem CID64987558
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide
SMILESCN(Cc1cccc(C#N)c1)S(=O)(=O)CC1CC1
InChIInChI=1S/C13H16N2O2S/c1-15(18(16,17)10-11-5-6-11)9-13-4-2-3-12(7-13)8-14/h2-4,7,11H,5-6,9-10H2,1H3
InChIKeyZOXAWDMGIUZEGU-UHFFFAOYSA-N
XLogP1.73
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene
CID 113424588
N-[(3-cyanophenyl)methyl]-2-methoxy-N-methylethanesulfonamide
CID 55153232
3-[[cyclopropylmethyl(methyl)amino]methyl]benzonitrile
CID 47053990
4-chloro-N-[(3-cyanophenyl)methyl]-N-methylbutane-1-sulfonamide
CID 116815295
3-[[cyclopropylmethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77052477
N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide
CID 62967428
N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide
CID 79113614
1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide
CID 71977809
N-[(3-cyanophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47268104
3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79707092
3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile
CID 79469055
methyl N-[(3-cyanophenyl)methyl-methylsulfamoyl]carbamate
CID 115874261

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide (CID 64987558) is N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide is CN(Cc1cccc(C#N)c1)S(=O)(=O)CC1CC1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide?
The InChIKey is ZOXAWDMGIUZEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-15(18(16,17)10-11-5-6-11)9-13-4-2-3-12(7-13)8-14/h2-4,7,11H,5-6,9-10H2,1H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide?
N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide has a molecular weight of 264.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide is sourced from PubChem (CID 64987558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).