5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one

C15H18N2O3S — CID 110867929

IUPAC5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CC4CCCC4C3)ccc2N1
InChIInChI=1S/C15H18N2O3S/c18-15-7-12-6-13(4-5-14(12)16-15)21(19,20)17-8-10-2-1-3-11(10)9-17/h4-6,10-11H,1-3,7-9H2,(H,16,18)
InChIKeySMCRYWZBZARKRK-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.60
Rot. Bonds2

About 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one

5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one (PubChem CID 110867929) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one
PubChem CID110867929
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CC4CCCC4C3)ccc2N1
InChIInChI=1S/C15H18N2O3S/c18-15-7-12-6-13(4-5-14(12)16-15)21(19,20)17-8-10-2-1-3-11(10)9-17/h4-6,10-11H,1-3,7-9H2,(H,16,18)
InChIKeySMCRYWZBZARKRK-UHFFFAOYSA-N
XLogP1.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110662434
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 66291252
5-(4-cyclopropyl-3-oxopiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110720855
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-2,3-dihydro-1H-isoindole
CID 107422312
(2S)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 45290992
5-(4-propan-2-yloxypiperidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110725492
N-cyclopentyl-N-cyclopropyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110872943
5-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110418578
2-oxo-1,3-dihydroindole-5-sulfonyl chloride
CID 4962506
2-oxo-1,3-dihydroindole-5-sulfonyl fluoride
CID 82284625
5-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110602954
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7012461

Frequently Asked Questions

What is the IUPAC name of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one (CID 110867929) is 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(S(=O)(=O)N3CC4CCCC4C3)ccc2N1.
What is the InChIKey of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one?
The InChIKey is SMCRYWZBZARKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-15-7-12-6-13(4-5-14(12)16-15)21(19,20)17-8-10-2-1-3-11(10)9-17/h4-6,10-11H,1-3,7-9H2,(H,16,18).
What are the key properties of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one?
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one has a molecular weight of 306.39 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 110867929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).