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

C8H16N2O3S — CID 22204015

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1CCCC1=O
InChIInChI=1S/C8H16N2O3S/c1-14(12,13)9-5-3-7-10-6-2-4-8(10)11/h9H,2-7H2,1H3
InChIKeyMDMLQXYQKRPNEP-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.45
Rot. Bonds5

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

N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide (PubChem CID 22204015) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
PubChem CID22204015
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1CCCC1=O
InChIInChI=1S/C8H16N2O3S/c1-14(12,13)9-5-3-7-10-6-2-4-8(10)11/h9H,2-7H2,1H3
InChIKeyMDMLQXYQKRPNEP-UHFFFAOYSA-N
XLogP-0.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.45
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]methanesulfonamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide (CID 22204015) is N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide is CS(=O)(=O)NCCCN1CCCC1=O.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide?
The InChIKey is MDMLQXYQKRPNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-14(12,13)9-5-3-7-10-6-2-4-8(10)11/h9H,2-7H2,1H3.
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]methanesulfonamide has a molecular weight of 220.29 g/mol, XLogP of -0.45, 5 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]methanesulfonamide is sourced from PubChem (CID 22204015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).