5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one

C13H19N3O3S — CID 63174821

IUPAC5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCC(N3CCCC3)C2)c[nH]1
InChIInChI=1S/C13H19N3O3S/c17-13-4-3-12(9-14-13)20(18,19)16-8-5-11(10-16)15-6-1-2-7-15/h3-4,9,11H,1-2,5-8,10H2,(H,14,17)
InChIKeyVUNSHNXCTLGNIY-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.23
Rot. Bonds3

About 5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one

5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 63174821) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one
PubChem CID63174821
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCC(N3CCCC3)C2)c[nH]1
InChIInChI=1S/C13H19N3O3S/c17-13-4-3-12(9-14-13)20(18,19)16-8-5-11(10-16)15-6-1-2-7-15/h3-4,9,11H,1-2,5-8,10H2,(H,14,17)
InChIKeyVUNSHNXCTLGNIY-UHFFFAOYSA-N
XLogP0.23
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyridin-2-one
CID 54877089
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
CID 63169006
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 107877559
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 63174689
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 112627112
1-(4-bromo-3-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 103697553
2-bromo-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 115329305
2-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 115330068
[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)-1H-pyrrol-2-yl]methanamine
CID 79925096
2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine
CID 63169095
2-(benzenesulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 6465871
5-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63616386

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one (CID 63174821) is 5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one is O=c1ccc(S(=O)(=O)N2CCC(N3CCCC3)C2)c[nH]1.
What is the InChIKey of 5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is VUNSHNXCTLGNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c17-13-4-3-12(9-14-13)20(18,19)16-8-5-11(10-16)15-6-1-2-7-15/h3-4,9,11H,1-2,5-8,10H2,(H,14,17).
What are the key properties of 5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one?
5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 297.38 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 63174821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).