N-(2-cyanopropyl)-N-ethylmethanesulfonamide

C7H14N2O2S — CID 61384825

IUPACN-(2-cyanopropyl)-N-ethylmethanesulfonamide
SMILESCCN(CC(C)C#N)S(C)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-4-9(12(3,10)11)6-7(2)5-8/h7H,4,6H2,1-3H3
InChIKeyRUBWFMHXXJUEDJ-UHFFFAOYSA-N
MW190.27 g/mol
LogP0.43
Rot. Bonds4

About N-(2-cyanopropyl)-N-ethylmethanesulfonamide

N-(2-cyanopropyl)-N-ethylmethanesulfonamide (PubChem CID 61384825) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethylmethanesulfonamide
PubChem CID61384825
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-(2-cyanopropyl)-N-ethylmethanesulfonamide
SMILESCCN(CC(C)C#N)S(C)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-4-9(12(3,10)11)6-7(2)5-8/h7H,4,6H2,1-3H3
InChIKeyRUBWFMHXXJUEDJ-UHFFFAOYSA-N
XLogP0.43
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethylmethanesulfonamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethylmethanesulfonamide (CID 61384825) is N-(2-cyanopropyl)-N-ethylmethanesulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethylmethanesulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethylmethanesulfonamide is CCN(CC(C)C#N)S(C)(=O)=O.
What is the InChIKey of N-(2-cyanopropyl)-N-ethylmethanesulfonamide?
The InChIKey is RUBWFMHXXJUEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-4-9(12(3,10)11)6-7(2)5-8/h7H,4,6H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N-ethylmethanesulfonamide?
N-(2-cyanopropyl)-N-ethylmethanesulfonamide has a molecular weight of 190.27 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethylmethanesulfonamide is sourced from PubChem (CID 61384825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).