2-sulfanyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-1-one

C11H12N2OS — CID 123171177

IUPAC2-sulfanyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-1-one
SMILESO=c1c2cc3n(c2ccn1S)CCCC3
InChIInChI=1S/C11H12N2OS/c14-11-9-7-8-3-1-2-5-12(8)10(9)4-6-13(11)15/h4,6-7,15H,1-3,5H2
InChIKeyFUBXUMPXFJDHMG-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.83
Rot. Bonds

About 2-sulfanyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-1-one

2-sulfanyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-1-one (PubChem CID 123171177) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-sulfanyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-1-one.

Molecular Properties

Compound Name2-sulfanyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-1-one
PubChem CID123171177
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-sulfanyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-1-one
SMILESO=c1c2cc3n(c2ccn1S)CCCC3
InChIInChI=1S/C11H12N2OS/c14-11-9-7-8-3-1-2-5-12(8)10(9)4-6-13(11)15/h4,6-7,15H,1-3,5H2
InChIKeyFUBXUMPXFJDHMG-UHFFFAOYSA-N
XLogP1.83
TPSA26.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]indolizin-3-one
CID 58043966
2-(6,7,8,9-tetrahydropyrido[1,2-a]indol-1-yl)ethanamine
CID 151175041
4-[1-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)ethyl]benzoic acid
CID 167837707
4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizine
CID 141206981
2-bromo-4-fluoro-6-(1-oxo-6,7,8,9-tetrahydropyridazino[4,5-b]indolizin-2-yl)benzaldehyde
CID 86683770
2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-amine
CID 105435216
6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylic acid
CID 82409594
2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]indolizine
CID 82415384
8-oxa-11-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,15-pentaen-9-one
CID 71768277
ethyl 2-chloro-5,6,7,8-tetrahydroindolizine-3-carboxylate
CID 146496064
11-methyl-6,7,8,9-tetrahydroazepino[1,2-a]indol-10-one
CID 24977612
1-chloro-4-methyl-6,7,8,9-tetrahydropyridazino[4,5-b]indolizine
CID 86752616

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-1-one?
The IUPAC name of 2-sulfanyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-1-one (CID 123171177) is 2-sulfanyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-1-one.
What is the SMILES notation for 2-sulfanyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-1-one?
The canonical SMILES for 2-sulfanyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-1-one is O=c1c2cc3n(c2ccn1S)CCCC3.
What is the InChIKey of 2-sulfanyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-1-one?
The InChIKey is FUBXUMPXFJDHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c14-11-9-7-8-3-1-2-5-12(8)10(9)4-6-13(11)15/h4,6-7,15H,1-3,5H2.
What are the key properties of 2-sulfanyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-1-one?
2-sulfanyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-1-one has a molecular weight of 220.30 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-1-one is sourced from PubChem (CID 123171177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).