1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one

C21H24N2O3S — CID 92692890

IUPAC1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CC[C@@H](c4ccccc4)C3)ccc21
InChIInChI=1S/C21H24N2O3S/c1-21(2)18-13-17(9-10-19(18)22(3)20(21)24)27(25,26)23-12-11-16(14-23)15-7-5-4-6-8-15/h4-10,13,16H,11-12,14H2,1-3H3/t16-/m1/s1
InChIKeyYSYZVUKVZXFKHX-MRXNPFEDSA-N
MW384.50 g/mol
LogP3.12
Rot. Bonds3

About 1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one

1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one (PubChem CID 92692890) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one
PubChem CID92692890
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CC[C@@H](c4ccccc4)C3)ccc21
InChIInChI=1S/C21H24N2O3S/c1-21(2)18-13-17(9-10-19(18)22(3)20(21)24)27(25,26)23-12-11-16(14-23)15-7-5-4-6-8-15/h4-10,13,16H,11-12,14H2,1-3H3/t16-/m1/s1
InChIKeyYSYZVUKVZXFKHX-MRXNPFEDSA-N
XLogP3.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-1,3,3-trimethylindol-2-one
CID 92692889
1,3,3-trimethyl-5-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]sulfonylindol-2-one
CID 20938186
4-(3-phenylpyrrolidin-1-yl)sulfonylphenol
CID 62133605
4-(3-phenylpyrrolidin-1-yl)sulfonylaniline
CID 62131922
1,3,3-trimethyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylindol-2-one
CID 22519310
1-[4-(3-phenylpyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 51055236
1,3,3-trimethyl-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]sulfonylindol-2-one
CID 22582612
(3S)-N-[(4-fluorophenyl)methyl]-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92505582
N-(3-methylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22519320
(3R)-N-(2,3-dimethylphenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92681782
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114
N-(4-chlorophenyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22552128

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one?
The IUPAC name of 1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one (CID 92692890) is 1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one.
What is the SMILES notation for 1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one?
The canonical SMILES for 1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one is CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CC[C@@H](c4ccccc4)C3)ccc21.
What is the InChIKey of 1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one?
The InChIKey is YSYZVUKVZXFKHX-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-21(2)18-13-17(9-10-19(18)22(3)20(21)24)27(25,26)23-12-11-16(14-23)15-7-5-4-6-8-15/h4-10,13,16H,11-12,14H2,1-3H3/t16-/m1/s1.
What are the key properties of 1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one?
1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one has a molecular weight of 384.50 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-5-[(3S)-3-phenylpyrrolidin-1-yl]sulfonylindol-2-one is sourced from PubChem (CID 92692890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).