[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl-trimethylstannane

C13H27NSSn — CID 3008667

IUPAC[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl-trimethylstannane
SMILESC[Sn](C)(C)SC[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C10H19NS.3CH3.Sn/c12-8-9-4-3-7-11-6-2-1-5-10(9)11;;;;/h9-10,12H,1-8H2;3*1H3;/q;;;;+1/p-1/t9-,10+;;;;/m0..../s1
InChIKeyJZPZREGDQKOAMB-VQTXXYAFSA-M
MW348.14 g/mol
LogP3.82
Rot. Bonds3

About [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl-trimethylstannane

[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl-trimethylstannane (PubChem CID 3008667) has the molecular formula C13H27NSSn and a molecular weight of 348.14 g/mol. Its IUPAC name is [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl-trimethylstannane.

Molecular Properties

Compound Name[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl-trimethylstannane
PubChem CID3008667
Molecular FormulaC13H27NSSn
Molecular Weight348.14 g/mol
Exact Mass349.09
IUPAC Name[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl-trimethylstannane
SMILESC[Sn](C)(C)SC[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C10H19NS.3CH3.Sn/c12-8-9-4-3-7-11-6-2-1-5-10(9)11;;;;/h9-10,12H,1-8H2;3*1H3;/q;;;;+1/p-1/t9-,10+;;;;/m0..../s1
InChIKeyJZPZREGDQKOAMB-VQTXXYAFSA-M
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl-trimethylstannane?
The IUPAC name of [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl-trimethylstannane (CID 3008667) is [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl-trimethylstannane.
What is the SMILES notation for [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl-trimethylstannane?
The canonical SMILES for [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl-trimethylstannane is C[Sn](C)(C)SC[C@@H]1CCCN2CCCC[C@H]12.
What is the InChIKey of [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl-trimethylstannane?
The InChIKey is JZPZREGDQKOAMB-VQTXXYAFSA-M. The full InChI is InChI=1S/C10H19NS.3CH3.Sn/c12-8-9-4-3-7-11-6-2-1-5-10(9)11;;;;/h9-10,12H,1-8H2;3*1H3;/q;;;;+1/p-1/t9-,10+;;;;/m0..../s1.
What are the key properties of [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl-trimethylstannane?
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl-trimethylstannane has a molecular weight of 348.14 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl-trimethylstannane is sourced from PubChem (CID 3008667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).