2-cyclohexylsulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one

C17H23NOS — CID 23887511

IUPAC2-cyclohexylsulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(SC1CCCCC1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H23NOS/c1-13(20-15-8-3-2-4-9-15)17(19)18-12-11-14-7-5-6-10-16(14)18/h5-7,10,13,15H,2-4,8-9,11-12H2,1H3
InChIKeyJUZCDPRHPKQKGD-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.03
Rot. Bonds3

About 2-cyclohexylsulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one

2-cyclohexylsulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 23887511) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID23887511
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name2-cyclohexylsulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(SC1CCCCC1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H23NOS/c1-13(20-15-8-3-2-4-9-15)17(19)18-12-11-14-7-5-6-10-16(14)18/h5-7,10,13,15H,2-4,8-9,11-12H2,1H3
InChIKeyJUZCDPRHPKQKGD-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
(2S)-2-(4-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 51524524
1-cyclohexyl-3-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea
CID 92881427
(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7415781
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 100838637
(2S)-1-(2,3-dihydroindol-1-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropan-1-one
CID 7246575
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922742
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906465
(2S)-1-(2,3-dihydroindol-1-yl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-1-one
CID 2447407

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-cyclohexylsulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 23887511) is 2-cyclohexylsulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one is CC(SC1CCCCC1)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is JUZCDPRHPKQKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-13(20-15-8-3-2-4-9-15)17(19)18-12-11-14-7-5-6-10-16(14)18/h5-7,10,13,15H,2-4,8-9,11-12H2,1H3.
What are the key properties of 2-cyclohexylsulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
2-cyclohexylsulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 289.44 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 23887511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).