6-(4-fluorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole

C18H19FN2S — CID 76581904

IUPAC6-(4-fluorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
SMILESCN1CCC2Nc3c(Sc4ccc(F)cc4)cccc3C2C1
InChIInChI=1S/C18H19FN2S/c1-21-10-9-16-15(11-21)14-3-2-4-17(18(14)20-16)22-13-7-5-12(19)6-8-13/h2-8,15-16,20H,9-11H2,1H3
InChIKeyCCLWUZAJOWWMHQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.19
Rot. Bonds2

About 6-(4-fluorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole

6-(4-fluorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole (PubChem CID 76581904) has the molecular formula C18H19FN2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 6-(4-fluorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name6-(4-fluorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
PubChem CID76581904
Molecular FormulaC18H19FN2S
Molecular Weight314.43 g/mol
Exact Mass314.13
IUPAC Name6-(4-fluorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
SMILESCN1CCC2Nc3c(Sc4ccc(F)cc4)cccc3C2C1
InChIInChI=1S/C18H19FN2S/c1-21-10-9-16-15(11-21)14-3-2-4-17(18(14)20-16)22-13-7-5-12(19)6-8-13/h2-8,15-16,20H,9-11H2,1H3
InChIKeyCCLWUZAJOWWMHQ-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(4-fluorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole with MolForge

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Related Compounds

6-fluoro-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
CID 83820061
(4aS)-6-(2,5-dichlorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
CID 143131419
1-(4-fluorophenyl)-4-(6-methylsulfanyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)butan-1-one
CID 76581919
8-bromo-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole
CID 83825912
(4aR,9bS)-2,9-dimethyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
CID 171061003
3-(4-fluorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
CID 75007477
3-(2,3-difluorophenyl)-1-methylpyrrolidine
CID 67174874
(3R,4S)-4-(4-fluorophenoxy)-1-methyl-3-phenylpiperidine
CID 12788468
4-(2,3-difluorophenyl)-1-methylpiperidine
CID 57438792
3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine
CID 67173873
4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine
CID 58103915
(2R,7S)-4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 86736419

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole?
The IUPAC name of 6-(4-fluorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole (CID 76581904) is 6-(4-fluorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole.
What is the SMILES notation for 6-(4-fluorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole?
The canonical SMILES for 6-(4-fluorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole is CN1CCC2Nc3c(Sc4ccc(F)cc4)cccc3C2C1.
What is the InChIKey of 6-(4-fluorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole?
The InChIKey is CCLWUZAJOWWMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2S/c1-21-10-9-16-15(11-21)14-3-2-4-17(18(14)20-16)22-13-7-5-12(19)6-8-13/h2-8,15-16,20H,9-11H2,1H3.
What are the key properties of 6-(4-fluorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole?
6-(4-fluorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole has a molecular weight of 314.43 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)sulfanyl-2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole is sourced from PubChem (CID 76581904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).