N-(2-cyanopropyl)-N-methylmethanesulfonamide

C6H12N2O2S — CID 47034394

IUPACN-(2-cyanopropyl)-N-methylmethanesulfonamide
SMILESCC(C#N)CN(C)S(C)(=O)=O
InChIInChI=1S/C6H12N2O2S/c1-6(4-7)5-8(2)11(3,9)10/h6H,5H2,1-3H3
InChIKeyRWPXDSCYRZINJJ-UHFFFAOYSA-N
MW176.24 g/mol
LogP0.04
Rot. Bonds3

About N-(2-cyanopropyl)-N-methylmethanesulfonamide

N-(2-cyanopropyl)-N-methylmethanesulfonamide (PubChem CID 47034394) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-methylmethanesulfonamide
PubChem CID47034394
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC NameN-(2-cyanopropyl)-N-methylmethanesulfonamide
SMILESCC(C#N)CN(C)S(C)(=O)=O
InChIInChI=1S/C6H12N2O2S/c1-6(4-7)5-8(2)11(3,9)10/h6H,5H2,1-3H3
InChIKeyRWPXDSCYRZINJJ-UHFFFAOYSA-N
XLogP0.04
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanopropyl)-N-methylmethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-cyanopropyl)-N-methylmethanesulfonamide (CID 47034394) is N-(2-cyanopropyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-N-methylmethanesulfonamide is CC(C#N)CN(C)S(C)(=O)=O.
What is the InChIKey of N-(2-cyanopropyl)-N-methylmethanesulfonamide?
The InChIKey is RWPXDSCYRZINJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-6(4-7)5-8(2)11(3,9)10/h6H,5H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N-methylmethanesulfonamide?
N-(2-cyanopropyl)-N-methylmethanesulfonamide has a molecular weight of 176.24 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 47034394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).