1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one

C15H23NOS — CID 114124699

IUPAC1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one
SMILESCSCCCCCCn1ccc2c1CCCC2=O
InChIInChI=1S/C15H23NOS/c1-18-12-5-3-2-4-10-16-11-9-13-14(16)7-6-8-15(13)17/h9,11H,2-8,10,12H2,1H3
InChIKeyZTCPMITUEJIFHF-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.93
Rot. Bonds7

About 1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one

1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one (PubChem CID 114124699) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one
PubChem CID114124699
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one
SMILESCSCCCCCCn1ccc2c1CCCC2=O
InChIInChI=1S/C15H23NOS/c1-18-12-5-3-2-4-10-16-11-9-13-14(16)7-6-8-15(13)17/h9,11H,2-8,10,12H2,1H3
InChIKeyZTCPMITUEJIFHF-UHFFFAOYSA-N
XLogP3.93
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propyl]methanesulfonamide
CID 114175400
1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-indol-4-one
CID 106432325
1-(3-pyrazol-1-ylpropyl)-6,7-dihydro-5H-indol-4-one
CID 113413211
1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine
CID 114125100
1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one
CID 67313523
1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea
CID 83114594
1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
CID 67312056
1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-6,7-dihydro-5H-indol-4-one
CID 62038577
1-(3-methyl-2-propan-2-ylbutyl)-6,7-dihydro-5H-indol-4-one
CID 102907877
N-(2-methylpropyl)-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propanamide
CID 113411042
1-[2-[butan-2-yl(methyl)amino]ethyl]-6,7-dihydro-5H-indol-4-one
CID 114134605
1-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-6,7-dihydro-5H-indol-4-one
CID 11361631

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one (CID 114124699) is 1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one is CSCCCCCCn1ccc2c1CCCC2=O.
What is the InChIKey of 1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is ZTCPMITUEJIFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-18-12-5-3-2-4-10-16-11-9-13-14(16)7-6-8-15(13)17/h9,11H,2-8,10,12H2,1H3.
What are the key properties of 1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one?
1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 265.42 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylsulfanylhexyl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 114124699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).