2-[(2-methyl-1H-indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone

C16H20N2OS — CID 2153508

IUPAC2-[(2-methyl-1H-indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone
SMILESCc1[nH]c2ccccc2c1SCC(=O)N1CCCCC1
InChIInChI=1S/C16H20N2OS/c1-12-16(13-7-3-4-8-14(13)17-12)20-11-15(19)18-9-5-2-6-10-18/h3-4,7-8,17H,2,5-6,9-11H2,1H3
InChIKeyUSOQABIGFCXBDI-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.58
Rot. Bonds3

About 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone

2-[(2-methyl-1H-indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone (PubChem CID 2153508) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-methyl-1H-indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone
PubChem CID2153508
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-[(2-methyl-1H-indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone
SMILESCc1[nH]c2ccccc2c1SCC(=O)N1CCCCC1
InChIInChI=1S/C16H20N2OS/c1-12-16(13-7-3-4-8-14(13)17-12)20-11-15(19)18-9-5-2-6-10-18/h3-4,7-8,17H,2,5-6,9-11H2,1H3
InChIKeyUSOQABIGFCXBDI-UHFFFAOYSA-N
XLogP3.58
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone (CID 2153508) is 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone is Cc1[nH]c2ccccc2c1SCC(=O)N1CCCCC1.
What is the InChIKey of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone?
The InChIKey is USOQABIGFCXBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-16(13-7-3-4-8-14(13)17-12)20-11-15(19)18-9-5-2-6-10-18/h3-4,7-8,17H,2,5-6,9-11H2,1H3.
What are the key properties of 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone?
2-[(2-methyl-1H-indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone has a molecular weight of 288.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1H-indol-3-yl)sulfanyl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 2153508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).