1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one

C15H20N2O3S — CID 96567308

IUPAC1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
SMILESCS(=O)(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21
InChIInChI=1S/C15H20N2O3S/c1-21(19,20)17-11-12(13-5-2-3-6-14(13)17)8-10-16-9-4-7-15(16)18/h2-3,5-6,12H,4,7-11H2,1H3/t12-/m1/s1
InChIKeyLCBJTSMBFWCBGZ-GFCCVEGCSA-N
MW308.40 g/mol
LogP1.56
Rot. Bonds4

About 1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one

1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one (PubChem CID 96567308) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
PubChem CID96567308
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
SMILESCS(=O)(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21
InChIInChI=1S/C15H20N2O3S/c1-21(19,20)17-11-12(13-5-2-3-6-14(13)17)8-10-16-9-4-7-15(16)18/h2-3,5-6,12H,4,7-11H2,1H3/t12-/m1/s1
InChIKeyLCBJTSMBFWCBGZ-GFCCVEGCSA-N
XLogP1.56
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylsulfonyl-2,3-dihydroindol-3-yl)ethanamine
CID 63235698
1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 96569870
3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide
CID 71975520
1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 96570582
1-[2-[1-[[4-(difluoromethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 126790858
1-[2-[(3S)-1-(1,2-oxazol-3-ylmethyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 97083404
1-[2-[(3R)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 129398296
1-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]pyrrolidin-2-one
CID 24700363
N-(3,4-dimethylphenyl)-2-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 126784115
6-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]pyridazine-3-carbonitrile
CID 133419110
1-[2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 133485840
N-(2,5-dimethylphenyl)-2-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 126793527

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one (CID 96567308) is 1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one is CS(=O)(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21.
What is the InChIKey of 1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
The InChIKey is LCBJTSMBFWCBGZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-21(19,20)17-11-12(13-5-2-3-6-14(13)17)8-10-16-9-4-7-15(16)18/h2-3,5-6,12H,4,7-11H2,1H3/t12-/m1/s1.
What are the key properties of 1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one has a molecular weight of 308.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 96567308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).