3-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidin-2-one

C10H18N2O3S — CID 165460769

IUPAC3-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidin-2-one
SMILESO=C1NCCC1CCS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H18N2O3S/c13-10-9(3-5-11-10)4-8-16(14,15)12-6-1-2-7-12/h9H,1-8H2,(H,11,13)
InChIKeyKRDHEICXDBPHQV-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.06
Rot. Bonds4

About 3-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidin-2-one

3-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidin-2-one (PubChem CID 165460769) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidin-2-one
PubChem CID165460769
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name3-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidin-2-one
SMILESO=C1NCCC1CCS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H18N2O3S/c13-10-9(3-5-11-10)4-8-16(14,15)12-6-1-2-7-12/h9H,1-8H2,(H,11,13)
InChIKeyKRDHEICXDBPHQV-UHFFFAOYSA-N
XLogP-0.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
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 3-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidin-2-one?
The IUPAC name of 3-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidin-2-one (CID 165460769) is 3-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidin-2-one is O=C1NCCC1CCS(=O)(=O)N1CCCC1.
What is the InChIKey of 3-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidin-2-one?
The InChIKey is KRDHEICXDBPHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c13-10-9(3-5-11-10)4-8-16(14,15)12-6-1-2-7-12/h9H,1-8H2,(H,11,13).
What are the key properties of 3-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidin-2-one?
3-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidin-2-one has a molecular weight of 246.33 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-1-ylsulfonylethyl)pyrrolidin-2-one is sourced from PubChem (CID 165460769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).