5-pyrrolidin-1-ylsulfonyl-1H-pyridin-2-one

C9H12N2O3S — CID 3837315

IUPAC5-pyrrolidin-1-ylsulfonyl-1H-pyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC2)c[nH]1
InChIInChI=1S/C9H12N2O3S/c12-9-4-3-8(7-10-9)15(13,14)11-5-1-2-6-11/h3-4,7H,1-2,5-6H2,(H,10,12)
InChIKeyQOYWWWXFIYKITJ-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.16
Rot. Bonds2

About 5-pyrrolidin-1-ylsulfonyl-1H-pyridin-2-one

5-pyrrolidin-1-ylsulfonyl-1H-pyridin-2-one (PubChem CID 3837315) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylsulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-pyrrolidin-1-ylsulfonyl-1H-pyridin-2-one
PubChem CID3837315
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name5-pyrrolidin-1-ylsulfonyl-1H-pyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC2)c[nH]1
InChIInChI=1S/C9H12N2O3S/c12-9-4-3-8(7-10-9)15(13,14)11-5-1-2-6-11/h3-4,7H,1-2,5-6H2,(H,10,12)
InChIKeyQOYWWWXFIYKITJ-UHFFFAOYSA-N
XLogP0.16
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylsulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-pyrrolidin-1-ylsulfonyl-1H-pyridin-2-one (CID 3837315) is 5-pyrrolidin-1-ylsulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-pyrrolidin-1-ylsulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-pyrrolidin-1-ylsulfonyl-1H-pyridin-2-one is O=c1ccc(S(=O)(=O)N2CCCC2)c[nH]1.
What is the InChIKey of 5-pyrrolidin-1-ylsulfonyl-1H-pyridin-2-one?
The InChIKey is QOYWWWXFIYKITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c12-9-4-3-8(7-10-9)15(13,14)11-5-1-2-6-11/h3-4,7H,1-2,5-6H2,(H,10,12).
What are the key properties of 5-pyrrolidin-1-ylsulfonyl-1H-pyridin-2-one?
5-pyrrolidin-1-ylsulfonyl-1H-pyridin-2-one has a molecular weight of 228.27 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylsulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 3837315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).