(4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrothiochromeno[3,4-b]pyridine

C15H21NS — CID 18603883

IUPAC(4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrothiochromeno[3,4-b]pyridine
SMILESCCCN1CCC[C@H]2c3ccccc3SC[C@@H]21
InChIInChI=1S/C15H21NS/c1-2-9-16-10-5-7-12-13-6-3-4-8-15(13)17-11-14(12)16/h3-4,6,8,12,14H,2,5,7,9-11H2,1H3/t12-,14-/m0/s1
InChIKeyKTBSEVZUOASRID-JSGCOSHPSA-N
MW247.41 g/mol
LogP3.75
Rot. Bonds2

About (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrothiochromeno[3,4-b]pyridine

(4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrothiochromeno[3,4-b]pyridine (PubChem CID 18603883) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrothiochromeno[3,4-b]pyridine.

Molecular Properties

Compound Name(4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrothiochromeno[3,4-b]pyridine
PubChem CID18603883
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name(4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrothiochromeno[3,4-b]pyridine
SMILESCCCN1CCC[C@H]2c3ccccc3SC[C@@H]21
InChIInChI=1S/C15H21NS/c1-2-9-16-10-5-7-12-13-6-3-4-8-15(13)17-11-14(12)16/h3-4,6,8,12,14H,2,5,7,9-11H2,1H3/t12-,14-/m0/s1
InChIKeyKTBSEVZUOASRID-JSGCOSHPSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrothiochromeno[3,4-b]pyridine 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

(4aR,10bR)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 14151592
(4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
CID 18603878
(1S,8S)-9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene
CID 124918346
4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-ol
CID 14039992
(4aR,10bS)-2-methyl-1,3,4,4a,5,10b-hexahydrothiochromeno[4,3-c]pyridine;hydrochloride
CID 70427817
9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride
CID 3059561
(3aS,5S,9bS)-5-phenyl-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole;hydrochloride
CID 70394737
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine
CID 178102510
(4aS,10bR)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-8-ol
CID 14151624
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 79220883
[(4aS,10bR)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-yl] benzoate
CID 14151636
(4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline-8,9-diol;hydrobromide
CID 54581767

Frequently Asked Questions

What is the IUPAC name of (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrothiochromeno[3,4-b]pyridine?
The IUPAC name of (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrothiochromeno[3,4-b]pyridine (CID 18603883) is (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrothiochromeno[3,4-b]pyridine.
What is the SMILES notation for (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrothiochromeno[3,4-b]pyridine?
The canonical SMILES for (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrothiochromeno[3,4-b]pyridine is CCCN1CCC[C@H]2c3ccccc3SC[C@@H]21.
What is the InChIKey of (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrothiochromeno[3,4-b]pyridine?
The InChIKey is KTBSEVZUOASRID-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H21NS/c1-2-9-16-10-5-7-12-13-6-3-4-8-15(13)17-11-14(12)16/h3-4,6,8,12,14H,2,5,7,9-11H2,1H3/t12-,14-/m0/s1.
What are the key properties of (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrothiochromeno[3,4-b]pyridine?
(4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrothiochromeno[3,4-b]pyridine has a molecular weight of 247.41 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bS)-4-propyl-1,2,3,4a,5,10b-hexahydrothiochromeno[3,4-b]pyridine is sourced from PubChem (CID 18603883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).