(3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one

C16H15NOS — CID 139037177

IUPAC(3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one
SMILESCN1C(=O)[C@@](C)(Sc2ccccc2)c2ccccc21
InChIInChI=1S/C16H15NOS/c1-16(19-12-8-4-3-5-9-12)13-10-6-7-11-14(13)17(2)15(16)18/h3-11H,1-2H3/t16-/m0/s1
InChIKeySAWUCXYIRZOFBO-INIZCTEOSA-N
MW269.37 g/mol
LogP3.67
Rot. Bonds2

About (3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one

(3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one (PubChem CID 139037177) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is (3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one.

Molecular Properties

Compound Name(3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one
PubChem CID139037177
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name(3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one
SMILESCN1C(=O)[C@@](C)(Sc2ccccc2)c2ccccc21
InChIInChI=1S/C16H15NOS/c1-16(19-12-8-4-3-5-9-12)13-10-6-7-11-14(13)17(2)15(16)18/h3-11H,1-2H3/t16-/m0/s1
InChIKeySAWUCXYIRZOFBO-INIZCTEOSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
9,9,10-trimethylacridine
CID 610451
1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one
CID 102309588
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
3-anilino-1,3-dimethylindol-2-one
CID 71527226
methyl (3S)-3-[(3S)-3-methoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
CID 122219444
3-methyl-1-phenyl-3-phenylsulfanylpyrrolo[2,3-b]pyridin-2-one
CID 14739491
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
3-chloro-1-methyl-3-(trichloromethyl)indol-2-one
CID 121215854
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one?
The IUPAC name of (3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one (CID 139037177) is (3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one.
What is the SMILES notation for (3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one?
The canonical SMILES for (3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one is CN1C(=O)[C@@](C)(Sc2ccccc2)c2ccccc21.
What is the InChIKey of (3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one?
The InChIKey is SAWUCXYIRZOFBO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15NOS/c1-16(19-12-8-4-3-5-9-12)13-10-6-7-11-14(13)17(2)15(16)18/h3-11H,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one?
(3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one has a molecular weight of 269.37 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one is sourced from PubChem (CID 139037177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).