5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one

C15H17N3O4S — CID 110720855

IUPAC5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CCN(C4CC4)C(=O)C3)ccc2N1
InChIInChI=1S/C15H17N3O4S/c19-14-8-10-7-12(3-4-13(10)16-14)23(21,22)17-5-6-18(11-1-2-11)15(20)9-17/h3-4,7,11H,1-2,5-6,8-9H2,(H,16,19)
InChIKeyKCVGUZDEXZPCNL-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.18
Rot. Bonds3

About 5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one

5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one (PubChem CID 110720855) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
PubChem CID110720855
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CCN(C4CC4)C(=O)C3)ccc2N1
InChIInChI=1S/C15H17N3O4S/c19-14-8-10-7-12(3-4-13(10)16-14)23(21,22)17-5-6-18(11-1-2-11)15(20)9-17/h3-4,7,11H,1-2,5-6,8-9H2,(H,16,19)
InChIKeyKCVGUZDEXZPCNL-UHFFFAOYSA-N
XLogP0.18
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one
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5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
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5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
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5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110725492
5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110662434
5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 113075154
(2S)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 45290992
5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110418578
5-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110293129
5-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110602954
5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110805342
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one (CID 110720855) is 5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one is O=C1Cc2cc(S(=O)(=O)N3CCN(C4CC4)C(=O)C3)ccc2N1.
What is the InChIKey of 5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The InChIKey is KCVGUZDEXZPCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c19-14-8-10-7-12(3-4-13(10)16-14)23(21,22)17-5-6-18(11-1-2-11)15(20)9-17/h3-4,7,11H,1-2,5-6,8-9H2,(H,16,19).
What are the key properties of 5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one has a molecular weight of 335.39 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 110720855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).