3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one

C15H20N2O3S — CID 20927230

IUPAC3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one
SMILESCC(C)C1C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc21
InChIInChI=1S/C15H20N2O3S/c1-10(2)14-12-9-11(5-6-13(12)16-15(14)18)21(19,20)17-7-3-4-8-17/h5-6,9-10,14H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyQGDZEAXMDHUTLD-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.16
Rot. Bonds3

About 3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one

3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one (PubChem CID 20927230) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one
PubChem CID20927230
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one
SMILESCC(C)C1C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc21
InChIInChI=1S/C15H20N2O3S/c1-10(2)14-12-9-11(5-6-13(12)16-15(14)18)21(19,20)17-7-3-4-8-17/h5-6,9-10,14H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyQGDZEAXMDHUTLD-UHFFFAOYSA-N
XLogP2.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-3-propan-2-yl-1,3-dihydroindol-2-one
CID 98271457
(3R)-5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3-propan-2-yl-1,3-dihydroindol-2-one
CID 98284359
3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one
CID 60664900
(2S)-7-(azepan-1-ylsulfonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 124854790
2-methyl-6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one
CID 22550140
2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one
CID 110759488
(3R)-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9030892
7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20949437
(3R)-5-(4-benzylpiperazin-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9186077
(3R)-5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3-methyl-1,3-dihydroindol-2-one
CID 9186076
4-methyl-6-pyrrolidin-1-ylsulfonyl-1,3-dihydroquinoxalin-2-one
CID 156743603
4-methoxy-3-methyl-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110406127

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one (CID 20927230) is 3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one is CC(C)C1C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc21.
What is the InChIKey of 3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one?
The InChIKey is QGDZEAXMDHUTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10(2)14-12-9-11(5-6-13(12)16-15(14)18)21(19,20)17-7-3-4-8-17/h5-6,9-10,14H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of 3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one?
3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one has a molecular weight of 308.40 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 20927230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).