N-(2-oxopiperidin-3-yl)ethanesulfonamide

C7H14N2O3S — CID 49457010

IUPACN-(2-oxopiperidin-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCNC1=O
InChIInChI=1S/C7H14N2O3S/c1-2-13(11,12)9-6-4-3-5-8-7(6)10/h6,9H,2-5H2,1H3,(H,8,10)
InChIKeyKEIBZKQKEWHIDO-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.80
Rot. Bonds3

About N-(2-oxopiperidin-3-yl)ethanesulfonamide

N-(2-oxopiperidin-3-yl)ethanesulfonamide (PubChem CID 49457010) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-(2-oxopiperidin-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-3-yl)ethanesulfonamide
PubChem CID49457010
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-(2-oxopiperidin-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCNC1=O
InChIInChI=1S/C7H14N2O3S/c1-2-13(11,12)9-6-4-3-5-8-7(6)10/h6,9H,2-5H2,1H3,(H,8,10)
InChIKeyKEIBZKQKEWHIDO-UHFFFAOYSA-N
XLogP-0.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-3-yl)ethanesulfonamide?
The IUPAC name of N-(2-oxopiperidin-3-yl)ethanesulfonamide (CID 49457010) is N-(2-oxopiperidin-3-yl)ethanesulfonamide.
What is the SMILES notation for N-(2-oxopiperidin-3-yl)ethanesulfonamide?
The canonical SMILES for N-(2-oxopiperidin-3-yl)ethanesulfonamide is CCS(=O)(=O)NC1CCCNC1=O.
What is the InChIKey of N-(2-oxopiperidin-3-yl)ethanesulfonamide?
The InChIKey is KEIBZKQKEWHIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-2-13(11,12)9-6-4-3-5-8-7(6)10/h6,9H,2-5H2,1H3,(H,8,10).
What are the key properties of N-(2-oxopiperidin-3-yl)ethanesulfonamide?
N-(2-oxopiperidin-3-yl)ethanesulfonamide has a molecular weight of 206.27 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-3-yl)ethanesulfonamide is sourced from PubChem (CID 49457010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).