5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one

C9H12N2O4S — CID 107877559

IUPAC5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CC[C@H](O)C2)c[nH]1
InChIInChI=1S/C9H12N2O4S/c12-7-3-4-11(6-7)16(14,15)8-1-2-9(13)10-5-8/h1-2,5,7,12H,3-4,6H2,(H,10,13)/t7-/m0/s1
InChIKeyNQKHOVOVVCASDV-ZETCQYMHSA-N
MW244.27 g/mol
LogP-0.87
Rot. Bonds2

About 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one

5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one (PubChem CID 107877559) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
PubChem CID107877559
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CC[C@H](O)C2)c[nH]1
InChIInChI=1S/C9H12N2O4S/c12-7-3-4-11(6-7)16(14,15)8-1-2-9(13)10-5-8/h1-2,5,7,12H,3-4,6H2,(H,10,13)/t7-/m0/s1
InChIKeyNQKHOVOVVCASDV-ZETCQYMHSA-N
XLogP-0.87
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one (CID 107877559) is 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one is O=c1ccc(S(=O)(=O)N2CC[C@H](O)C2)c[nH]1.
What is the InChIKey of 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one?
The InChIKey is NQKHOVOVVCASDV-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N2O4S/c12-7-3-4-11(6-7)16(14,15)8-1-2-9(13)10-5-8/h1-2,5,7,12H,3-4,6H2,(H,10,13)/t7-/m0/s1.
What are the key properties of 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one?
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one has a molecular weight of 244.27 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 107877559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).