1-(2-cyanophenyl)-N-ethyl-N-propylmethanesulfonamide

C13H18N2O2S — CID 43268883

IUPAC1-(2-cyanophenyl)-N-ethyl-N-propylmethanesulfonamide
SMILESCCCN(CC)S(=O)(=O)Cc1ccccc1C#N
InChIInChI=1S/C13H18N2O2S/c1-3-9-15(4-2)18(16,17)11-13-8-6-5-7-12(13)10-14/h5-8H,3-4,9,11H2,1-2H3
InChIKeyOYPAPWFCHVOLJW-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.12
Rot. Bonds6

About 1-(2-cyanophenyl)-N-ethyl-N-propylmethanesulfonamide

1-(2-cyanophenyl)-N-ethyl-N-propylmethanesulfonamide (PubChem CID 43268883) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-ethyl-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-ethyl-N-propylmethanesulfonamide
PubChem CID43268883
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-(2-cyanophenyl)-N-ethyl-N-propylmethanesulfonamide
SMILESCCCN(CC)S(=O)(=O)Cc1ccccc1C#N
InChIInChI=1S/C13H18N2O2S/c1-3-9-15(4-2)18(16,17)11-13-8-6-5-7-12(13)10-14/h5-8H,3-4,9,11H2,1-2H3
InChIKeyOYPAPWFCHVOLJW-UHFFFAOYSA-N
XLogP2.12
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-ethyl-N-propylmethanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-ethyl-N-propylmethanesulfonamide (CID 43268883) is 1-(2-cyanophenyl)-N-ethyl-N-propylmethanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-ethyl-N-propylmethanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-ethyl-N-propylmethanesulfonamide is CCCN(CC)S(=O)(=O)Cc1ccccc1C#N.
What is the InChIKey of 1-(2-cyanophenyl)-N-ethyl-N-propylmethanesulfonamide?
The InChIKey is OYPAPWFCHVOLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-9-15(4-2)18(16,17)11-13-8-6-5-7-12(13)10-14/h5-8H,3-4,9,11H2,1-2H3.
What are the key properties of 1-(2-cyanophenyl)-N-ethyl-N-propylmethanesulfonamide?
1-(2-cyanophenyl)-N-ethyl-N-propylmethanesulfonamide has a molecular weight of 266.37 g/mol, XLogP of 2.12, 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-propylmethanesulfonamide is sourced from PubChem (CID 43268883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).