dimethyl (3R,8R)-1,6-dithia-4,9-diaza-5-stannaspiro[4.4]nonane-3,8-dicarboxylate

C8H14N2O4S2Sn — CID 124629723

IUPACdimethyl (3R,8R)-1,6-dithia-4,9-diaza-5-stannaspiro[4.4]nonane-3,8-dicarboxylate
SMILESCOC(=O)[C@@H]1CS[Sn]2(N1)N[C@H](C(=O)OC)CS2
InChIInChI=1S/2C4H8NO2S.Sn/c2*1-7-4(6)3(5)2-8;/h2*3,5,8H,2H2,1H3;/q2*-1;+4/p-2/t2*3-;/m00./s1
InChIKeyXSYRQFZLZITXNF-QHTZZOMLSA-L
MW385.06 g/mol
LogP-0.82
Rot. Bonds2

About dimethyl (3R,8R)-1,6-dithia-4,9-diaza-5-stannaspiro[4.4]nonane-3,8-dicarboxylate

dimethyl (3R,8R)-1,6-dithia-4,9-diaza-5-stannaspiro[4.4]nonane-3,8-dicarboxylate (PubChem CID 124629723) has the molecular formula C8H14N2O4S2Sn and a molecular weight of 385.06 g/mol. Its IUPAC name is dimethyl (3R,8R)-1,6-dithia-4,9-diaza-5-stannaspiro[4.4]nonane-3,8-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3R,8R)-1,6-dithia-4,9-diaza-5-stannaspiro[4.4]nonane-3,8-dicarboxylate
PubChem CID124629723
Molecular FormulaC8H14N2O4S2Sn
Molecular Weight385.06 g/mol
Exact Mass385.94
IUPAC Namedimethyl (3R,8R)-1,6-dithia-4,9-diaza-5-stannaspiro[4.4]nonane-3,8-dicarboxylate
SMILESCOC(=O)[C@@H]1CS[Sn]2(N1)N[C@H](C(=O)OC)CS2
InChIInChI=1S/2C4H8NO2S.Sn/c2*1-7-4(6)3(5)2-8;/h2*3,5,8H,2H2,1H3;/q2*-1;+4/p-2/t2*3-;/m00./s1
InChIKeyXSYRQFZLZITXNF-QHTZZOMLSA-L
XLogP-0.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of dimethyl (3R,8R)-1,6-dithia-4,9-diaza-5-stannaspiro[4.4]nonane-3,8-dicarboxylate?
The IUPAC name of dimethyl (3R,8R)-1,6-dithia-4,9-diaza-5-stannaspiro[4.4]nonane-3,8-dicarboxylate (CID 124629723) is dimethyl (3R,8R)-1,6-dithia-4,9-diaza-5-stannaspiro[4.4]nonane-3,8-dicarboxylate.
What is the SMILES notation for dimethyl (3R,8R)-1,6-dithia-4,9-diaza-5-stannaspiro[4.4]nonane-3,8-dicarboxylate?
The canonical SMILES for dimethyl (3R,8R)-1,6-dithia-4,9-diaza-5-stannaspiro[4.4]nonane-3,8-dicarboxylate is COC(=O)[C@@H]1CS[Sn]2(N1)N[C@H](C(=O)OC)CS2.
What is the InChIKey of dimethyl (3R,8R)-1,6-dithia-4,9-diaza-5-stannaspiro[4.4]nonane-3,8-dicarboxylate?
The InChIKey is XSYRQFZLZITXNF-QHTZZOMLSA-L. The full InChI is InChI=1S/2C4H8NO2S.Sn/c2*1-7-4(6)3(5)2-8;/h2*3,5,8H,2H2,1H3;/q2*-1;+4/p-2/t2*3-;/m00./s1.
What are the key properties of dimethyl (3R,8R)-1,6-dithia-4,9-diaza-5-stannaspiro[4.4]nonane-3,8-dicarboxylate?
dimethyl (3R,8R)-1,6-dithia-4,9-diaza-5-stannaspiro[4.4]nonane-3,8-dicarboxylate has a molecular weight of 385.06 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3R,8R)-1,6-dithia-4,9-diaza-5-stannaspiro[4.4]nonane-3,8-dicarboxylate is sourced from PubChem (CID 124629723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).