1-cyclohexyl-2-(1H-indol-2-ylsulfanyl)ethanone

C16H19NOS — CID 104752329

IUPAC1-cyclohexyl-2-(1H-indol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1cc2ccccc2[nH]1)C1CCCCC1
InChIInChI=1S/C16H19NOS/c18-15(12-6-2-1-3-7-12)11-19-16-10-13-8-4-5-9-14(13)17-16/h4-5,8-10,12,17H,1-3,6-7,11H2
InChIKeyDBDVDAXSBMOHPM-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.41
Rot. Bonds4

About 1-cyclohexyl-2-(1H-indol-2-ylsulfanyl)ethanone

1-cyclohexyl-2-(1H-indol-2-ylsulfanyl)ethanone (PubChem CID 104752329) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-(1H-indol-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(1H-indol-2-ylsulfanyl)ethanone
PubChem CID104752329
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-cyclohexyl-2-(1H-indol-2-ylsulfanyl)ethanone
SMILESO=C(CSc1cc2ccccc2[nH]1)C1CCCCC1
InChIInChI=1S/C16H19NOS/c18-15(12-6-2-1-3-7-12)11-19-16-10-13-8-4-5-9-14(13)17-16/h4-5,8-10,12,17H,1-3,6-7,11H2
InChIKeyDBDVDAXSBMOHPM-UHFFFAOYSA-N
XLogP4.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(1H-indol-2-ylsulfanyl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(1H-indol-2-ylsulfanyl)ethanone (CID 104752329) is 1-cyclohexyl-2-(1H-indol-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(1H-indol-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(1H-indol-2-ylsulfanyl)ethanone is O=C(CSc1cc2ccccc2[nH]1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(1H-indol-2-ylsulfanyl)ethanone?
The InChIKey is DBDVDAXSBMOHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c18-15(12-6-2-1-3-7-12)11-19-16-10-13-8-4-5-9-14(13)17-16/h4-5,8-10,12,17H,1-3,6-7,11H2.
What are the key properties of 1-cyclohexyl-2-(1H-indol-2-ylsulfanyl)ethanone?
1-cyclohexyl-2-(1H-indol-2-ylsulfanyl)ethanone has a molecular weight of 273.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(1H-indol-2-ylsulfanyl)ethanone is sourced from PubChem (CID 104752329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).