N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide

C10H20N2O3S — CID 61383963

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C10H20N2O3S/c1-2-9-16(14,15)11-6-5-10(13)12-7-3-4-8-12/h11H,2-9H2,1H3
InChIKeyRSAJDKLKSWDVEM-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.33
Rot. Bonds6

About N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide

N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide (PubChem CID 61383963) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
PubChem CID61383963
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C10H20N2O3S/c1-2-9-16(14,15)11-6-5-10(13)12-7-3-4-8-12/h11H,2-9H2,1H3
InChIKeyRSAJDKLKSWDVEM-UHFFFAOYSA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.33
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)propane-1-sulfonamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide (CID 61383963) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide is CCCS(=O)(=O)NCCC(=O)N1CCCC1.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide?
The InChIKey is RSAJDKLKSWDVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-2-9-16(14,15)11-6-5-10(13)12-7-3-4-8-12/h11H,2-9H2,1H3.
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide has a molecular weight of 248.35 g/mol, XLogP of 0.33, 6 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)propane-1-sulfonamide is sourced from PubChem (CID 61383963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).