4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazolidine

C13H24N2S — CID 43620480

IUPAC4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazolidine
SMILESC1CCC2CN(CC3CSCN3)CCC2C1
InChIInChI=1S/C13H24N2S/c1-2-4-12-7-15(6-5-11(12)3-1)8-13-9-16-10-14-13/h11-14H,1-10H2
InChIKeyUIXGZAKMLMVOTK-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.16
Rot. Bonds2

About 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazolidine

4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazolidine (PubChem CID 43620480) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazolidine.

Molecular Properties

Compound Name4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazolidine
PubChem CID43620480
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazolidine
SMILESC1CCC2CN(CC3CSCN3)CCC2C1
InChIInChI=1S/C13H24N2S/c1-2-4-12-7-15(6-5-11(12)3-1)8-13-9-16-10-14-13/h11-14H,1-10H2
InChIKeyUIXGZAKMLMVOTK-UHFFFAOYSA-N
XLogP2.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazolidine with MolForge

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Related Compounds

N,N-dimethyl-1-(1,3-thiazolidin-4-ylmethyl)piperidin-4-amine
CID 43586140
4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazolidine
CID 43373036
4-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazolidine
CID 43199782
4-(1,3-thiazolidin-4-ylmethyl)-1,4-thiazinane 1,1-dioxide
CID 43581605
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 102894300
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
CID 60851063
4-[(2-ethylpiperidin-1-yl)methyl]-1,3-thiazolidine
CID 43266591
4-[(2,6-dimethylpiperidin-1-yl)methyl]-1,3-thiazolidine
CID 43199796
2,2-dimethyl-4-(1,3-thiazolidin-4-ylmethyl)morpholine
CID 43592953
3-cyclohexyl-1-(cyclohexylmethyl)piperidine
CID 143571203
2-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 58878293
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methylpropan-2-amine
CID 61267047

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazolidine?
The IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazolidine (CID 43620480) is 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazolidine.
What is the SMILES notation for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazolidine?
The canonical SMILES for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazolidine is C1CCC2CN(CC3CSCN3)CCC2C1.
What is the InChIKey of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazolidine?
The InChIKey is UIXGZAKMLMVOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-2-4-12-7-15(6-5-11(12)3-1)8-13-9-16-10-14-13/h11-14H,1-10H2.
What are the key properties of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazolidine?
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazolidine has a molecular weight of 240.42 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazolidine is sourced from PubChem (CID 43620480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).