1-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine

C19H22N2S — CID 91060176

IUPAC1-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESc1cc(Sc2ccc(C3CCN4CCCCC34)cc2)ccn1
InChIInChI=1S/C19H22N2S/c1-2-13-21-14-10-18(19(21)3-1)15-4-6-16(7-5-15)22-17-8-11-20-12-9-17/h4-9,11-12,18-19H,1-3,10,13-14H2
InChIKeyUYHAKZDYJSPMAT-UHFFFAOYSA-N
MW310.47 g/mol
LogP4.57
Rot. Bonds3

About 1-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine

1-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 91060176) has the molecular formula C19H22N2S and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name1-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID91060176
Molecular FormulaC19H22N2S
Molecular Weight310.47 g/mol
Exact Mass310.15
IUPAC Name1-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESc1cc(Sc2ccc(C3CCN4CCCCC34)cc2)ccn1
InChIInChI=1S/C19H22N2S/c1-2-13-21-14-10-18(19(21)3-1)15-4-6-16(7-5-15)22-17-8-11-20-12-9-17/h4-9,11-12,18-19H,1-3,10,13-14H2
InChIKeyUYHAKZDYJSPMAT-UHFFFAOYSA-N
XLogP4.57
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine 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

(5S)-5-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 59036144
1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride
CID 18934731
1-(3,4-dimethoxyphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 71301921
N,N-dimethyl-4-[(1S,2R)-2-piperidin-1-ylcyclohexyl]aniline
CID 10989804
(1R,2R,9aR)-1-(3,4-dichlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol
CID 16719342
2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid
CID 54069668
(4-pyridin-4-ylsulfanylphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 67180122
5-[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-3-pyridin-4-yl-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 154888490
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
1-(2-phenylcyclohexyl)piperidin-3-amine
CID 105402048
(4R)-4-(3,4-dichlorophenyl)-8-[2-(4-fluorophenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
CID 66918165

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 1-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 91060176) is 1-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 1-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 1-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine is c1cc(Sc2ccc(C3CCN4CCCCC34)cc2)ccn1.
What is the InChIKey of 1-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is UYHAKZDYJSPMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2S/c1-2-13-21-14-10-18(19(21)3-1)15-4-6-16(7-5-15)22-17-8-11-20-12-9-17/h4-9,11-12,18-19H,1-3,10,13-14H2.
What are the key properties of 1-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine?
1-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 310.47 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-4-ylsulfanylphenyl)-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 91060176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).