2-indol-1-yl-1-thiomorpholin-4-ylethanone

C14H16N2OS — CID 87040837

IUPAC2-indol-1-yl-1-thiomorpholin-4-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCSCC1
InChIInChI=1S/C14H16N2OS/c17-14(15-7-9-18-10-8-15)11-16-6-5-12-3-1-2-4-13(12)16/h1-6H,7-11H2
InChIKeyYZGPMAPMKSNQCS-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.22
Rot. Bonds2

About 2-indol-1-yl-1-thiomorpholin-4-ylethanone

2-indol-1-yl-1-thiomorpholin-4-ylethanone (PubChem CID 87040837) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-indol-1-yl-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-thiomorpholin-4-ylethanone
PubChem CID87040837
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-indol-1-yl-1-thiomorpholin-4-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCSCC1
InChIInChI=1S/C14H16N2OS/c17-14(15-7-9-18-10-8-15)11-16-6-5-12-3-1-2-4-13(12)16/h1-6H,7-11H2
InChIKeyYZGPMAPMKSNQCS-UHFFFAOYSA-N
XLogP2.22
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-indol-1-yl-1-thiomorpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 56817791
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide
CID 86822734
1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile
CID 49061496
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone
CID 39338416
1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 74249344
1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-indol-1-ylethanone
CID 7316989
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone
CID 95759248
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
2-indol-1-yl-1-[4-[(1S,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 98958440
2-indol-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 98958441
3-fluoro-1-(2-indol-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 119259090

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-indol-1-yl-1-thiomorpholin-4-ylethanone (CID 87040837) is 2-indol-1-yl-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-indol-1-yl-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-indol-1-yl-1-thiomorpholin-4-ylethanone is O=C(Cn1ccc2ccccc21)N1CCSCC1.
What is the InChIKey of 2-indol-1-yl-1-thiomorpholin-4-ylethanone?
The InChIKey is YZGPMAPMKSNQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c17-14(15-7-9-18-10-8-15)11-16-6-5-12-3-1-2-4-13(12)16/h1-6H,7-11H2.
What are the key properties of 2-indol-1-yl-1-thiomorpholin-4-ylethanone?
2-indol-1-yl-1-thiomorpholin-4-ylethanone has a molecular weight of 260.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 87040837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).