5-[(3S)-pyrrolidin-3-yl]sulfonyl-1,3-dihydroindol-2-one

C12H14N2O3S — CID 129388520

IUPAC5-[(3S)-pyrrolidin-3-yl]sulfonyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)[C@H]3CCNC3)ccc2N1
InChIInChI=1S/C12H14N2O3S/c15-12-6-8-5-9(1-2-11(8)14-12)18(16,17)10-3-4-13-7-10/h1-2,5,10,13H,3-4,6-7H2,(H,14,15)/t10-/m0/s1
InChIKeyVTWOJBJPRZBXPJ-JTQLQIEISA-N
MW266.32 g/mol
LogP0.32
Rot. Bonds2

About 5-[(3S)-pyrrolidin-3-yl]sulfonyl-1,3-dihydroindol-2-one

5-[(3S)-pyrrolidin-3-yl]sulfonyl-1,3-dihydroindol-2-one (PubChem CID 129388520) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-[(3S)-pyrrolidin-3-yl]sulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(3S)-pyrrolidin-3-yl]sulfonyl-1,3-dihydroindol-2-one
PubChem CID129388520
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name5-[(3S)-pyrrolidin-3-yl]sulfonyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)[C@H]3CCNC3)ccc2N1
InChIInChI=1S/C12H14N2O3S/c15-12-6-8-5-9(1-2-11(8)14-12)18(16,17)10-3-4-13-7-10/h1-2,5,10,13H,3-4,6-7H2,(H,14,15)/t10-/m0/s1
InChIKeyVTWOJBJPRZBXPJ-JTQLQIEISA-N
XLogP0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-1,3-dihydroindole-5-sulfonyl chloride
CID 4962506
2-oxo-1,3-dihydroindole-5-sulfonyl fluoride
CID 82284625
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 43597390
N-cycloheptyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 20858702
(3R)-3-(4-methylphenyl)sulfonylpyrrolidine
CID 7016814
5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one
CID 82231323
N-cyclopentyl-N-cyclopropyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110872943
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one
CID 110867929
N-cyclopropyl-2-oxo-N-propan-2-yl-1,3-dihydroindole-5-sulfonamide
CID 110872901
5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one
CID 116855261
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 66291252
N-(1-acetylpiperidin-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110715026

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-pyrrolidin-3-yl]sulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(3S)-pyrrolidin-3-yl]sulfonyl-1,3-dihydroindol-2-one (CID 129388520) is 5-[(3S)-pyrrolidin-3-yl]sulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(3S)-pyrrolidin-3-yl]sulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(3S)-pyrrolidin-3-yl]sulfonyl-1,3-dihydroindol-2-one is O=C1Cc2cc(S(=O)(=O)[C@H]3CCNC3)ccc2N1.
What is the InChIKey of 5-[(3S)-pyrrolidin-3-yl]sulfonyl-1,3-dihydroindol-2-one?
The InChIKey is VTWOJBJPRZBXPJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2O3S/c15-12-6-8-5-9(1-2-11(8)14-12)18(16,17)10-3-4-13-7-10/h1-2,5,10,13H,3-4,6-7H2,(H,14,15)/t10-/m0/s1.
What are the key properties of 5-[(3S)-pyrrolidin-3-yl]sulfonyl-1,3-dihydroindol-2-one?
5-[(3S)-pyrrolidin-3-yl]sulfonyl-1,3-dihydroindol-2-one has a molecular weight of 266.32 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-pyrrolidin-3-yl]sulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 129388520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).