5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one

C11H16N2O4S — CID 112627112

IUPAC5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESCC(O)C1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C11H16N2O4S/c1-8(14)9-4-5-13(7-9)18(16,17)10-2-3-11(15)12-6-10/h2-3,6,8-9,14H,4-5,7H2,1H3,(H,12,15)
InChIKeyDDKRADMKKATAIE-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.23
Rot. Bonds3

About 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one

5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one (PubChem CID 112627112) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
PubChem CID112627112
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESCC(O)C1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C11H16N2O4S/c1-8(14)9-4-5-13(7-9)18(16,17)10-2-3-11(15)12-6-10/h2-3,6,8-9,14H,4-5,7H2,1H3,(H,12,15)
InChIKeyDDKRADMKKATAIE-UHFFFAOYSA-N
XLogP-0.23
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627588
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 112626701
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 107877559
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
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1-[1-[4-(bromomethyl)phenyl]sulfonylpyrrolidin-3-yl]ethanol
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1-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115966431
5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63616386
5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63174821
1-[1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 112627615
3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]prop-2-yn-1-ol
CID 115966566
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103990794
1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115965542

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one (CID 112627112) is 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one is CC(O)C1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)C1.
What is the InChIKey of 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one?
The InChIKey is DDKRADMKKATAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8(14)9-4-5-13(7-9)18(16,17)10-2-3-11(15)12-6-10/h2-3,6,8-9,14H,4-5,7H2,1H3,(H,12,15).
What are the key properties of 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one?
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one has a molecular weight of 272.33 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 112627112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).