N,N-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfonylbutanamide

C13H24N2O4S — CID 78877087

IUPACN,N-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfonylbutanamide
SMILESCN(C)C(=O)CCCS(=O)(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C13H24N2O4S/c1-14(2)12(16)7-6-10-20(18,19)11-13(17)15-8-4-3-5-9-15/h3-11H2,1-2H3
InChIKeyWSTPEDYKJDVYAL-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.28
Rot. Bonds6

About N,N-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfonylbutanamide

N,N-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfonylbutanamide (PubChem CID 78877087) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfonylbutanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfonylbutanamide
PubChem CID78877087
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC NameN,N-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfonylbutanamide
SMILESCN(C)C(=O)CCCS(=O)(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C13H24N2O4S/c1-14(2)12(16)7-6-10-20(18,19)11-13(17)15-8-4-3-5-9-15/h3-11H2,1-2H3
InChIKeyWSTPEDYKJDVYAL-UHFFFAOYSA-N
XLogP0.28
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfonylbutanamide?
The IUPAC name of N,N-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfonylbutanamide (CID 78877087) is N,N-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfonylbutanamide.
What is the SMILES notation for N,N-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfonylbutanamide?
The canonical SMILES for N,N-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfonylbutanamide is CN(C)C(=O)CCCS(=O)(=O)CC(=O)N1CCCCC1.
What is the InChIKey of N,N-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfonylbutanamide?
The InChIKey is WSTPEDYKJDVYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-14(2)12(16)7-6-10-20(18,19)11-13(17)15-8-4-3-5-9-15/h3-11H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfonylbutanamide?
N,N-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfonylbutanamide has a molecular weight of 304.41 g/mol, XLogP of 0.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfonylbutanamide is sourced from PubChem (CID 78877087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).