N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-2-sulfonamide

C10H20N2O3S — CID 61363207

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C10H20N2O3S/c1-9(2)16(14,15)11-6-5-10(13)12-7-3-4-8-12/h9,11H,3-8H2,1-2H3
InChIKeyKXHVABROLLTGDN-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.33
Rot. Bonds5

About N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-2-sulfonamide

N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-2-sulfonamide (PubChem CID 61363207) 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-2-sulfonamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-2-sulfonamide
PubChem CID61363207
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C10H20N2O3S/c1-9(2)16(14,15)11-6-5-10(13)12-7-3-4-8-12/h9,11H,3-8H2,1-2H3
InChIKeyKXHVABROLLTGDN-UHFFFAOYSA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-2-sulfonamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-2-sulfonamide (CID 61363207) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-2-sulfonamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-2-sulfonamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NCCC(=O)N1CCCC1.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-2-sulfonamide?
The InChIKey is KXHVABROLLTGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-9(2)16(14,15)11-6-5-10(13)12-7-3-4-8-12/h9,11H,3-8H2,1-2H3.
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-2-sulfonamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)propane-2-sulfonamide has a molecular weight of 248.35 g/mol, XLogP of 0.33, 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)propane-2-sulfonamide is sourced from PubChem (CID 61363207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).