N-[3-(2-oxopyrrolidin-1-yl)propyl]ethanesulfonamide

C9H18N2O3S — CID 22204016

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCN1CCCC1=O
InChIInChI=1S/C9H18N2O3S/c1-2-15(13,14)10-6-4-8-11-7-3-5-9(11)12/h10H,2-8H2,1H3
InChIKeyMUFCMSSDDJUNGH-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.06
Rot. Bonds6

About N-[3-(2-oxopyrrolidin-1-yl)propyl]ethanesulfonamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]ethanesulfonamide (PubChem CID 22204016) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]ethanesulfonamide
PubChem CID22204016
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCN1CCCC1=O
InChIInChI=1S/C9H18N2O3S/c1-2-15(13,14)10-6-4-8-11-7-3-5-9(11)12/h10H,2-8H2,1H3
InChIKeyMUFCMSSDDJUNGH-UHFFFAOYSA-N
XLogP-0.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]ethanesulfonamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]ethanesulfonamide (CID 22204016) is N-[3-(2-oxopyrrolidin-1-yl)propyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]ethanesulfonamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]ethanesulfonamide is CCS(=O)(=O)NCCCN1CCCC1=O.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]ethanesulfonamide?
The InChIKey is MUFCMSSDDJUNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-2-15(13,14)10-6-4-8-11-7-3-5-9(11)12/h10H,2-8H2,1H3.
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]ethanesulfonamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]ethanesulfonamide has a molecular weight of 234.32 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]ethanesulfonamide is sourced from PubChem (CID 22204016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).