N-(2-cyanoethyl)-N-propan-2-ylmethanesulfonamide

C7H14N2O2S — CID 39870656

IUPACN-(2-cyanoethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCC#N)S(C)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-7(2)9(6-4-5-8)12(3,10)11/h7H,4,6H2,1-3H3
InChIKeyPHUBRTDBIFJITN-UHFFFAOYSA-N
MW190.27 g/mol
LogP0.57
Rot. Bonds4

About N-(2-cyanoethyl)-N-propan-2-ylmethanesulfonamide

N-(2-cyanoethyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 39870656) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-propan-2-ylmethanesulfonamide
PubChem CID39870656
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-(2-cyanoethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCC#N)S(C)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-7(2)9(6-4-5-8)12(3,10)11/h7H,4,6H2,1-3H3
InChIKeyPHUBRTDBIFJITN-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-propan-2-ylmethanesulfonamide (CID 39870656) is N-(2-cyanoethyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-propan-2-ylmethanesulfonamide is CC(C)N(CCC#N)S(C)(=O)=O.
What is the InChIKey of N-(2-cyanoethyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is PHUBRTDBIFJITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-7(2)9(6-4-5-8)12(3,10)11/h7H,4,6H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N-propan-2-ylmethanesulfonamide?
N-(2-cyanoethyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 190.27 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 39870656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).