N-(3-oxo-3-pyrrolidin-1-ylpropyl)ethanesulfonamide

C9H18N2O3S — CID 61363208

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C9H18N2O3S/c1-2-15(13,14)10-6-5-9(12)11-7-3-4-8-11/h10H,2-8H2,1H3
InChIKeyMBXPKBWJALSDGR-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.06
Rot. Bonds5

About N-(3-oxo-3-pyrrolidin-1-ylpropyl)ethanesulfonamide

N-(3-oxo-3-pyrrolidin-1-ylpropyl)ethanesulfonamide (PubChem CID 61363208) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)ethanesulfonamide
PubChem CID61363208
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C9H18N2O3S/c1-2-15(13,14)10-6-5-9(12)11-7-3-4-8-11/h10H,2-8H2,1H3
InChIKeyMBXPKBWJALSDGR-UHFFFAOYSA-N
XLogP-0.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)ethanesulfonamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)ethanesulfonamide (CID 61363208) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)ethanesulfonamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)ethanesulfonamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)ethanesulfonamide is CCS(=O)(=O)NCCC(=O)N1CCCC1.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)ethanesulfonamide?
The InChIKey is MBXPKBWJALSDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-2-15(13,14)10-6-5-9(12)11-7-3-4-8-11/h10H,2-8H2,1H3.
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)ethanesulfonamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)ethanesulfonamide has a molecular weight of 234.32 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-pyrrolidin-1-ylpropyl)ethanesulfonamide is sourced from PubChem (CID 61363208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).