ethyl (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate

C9H15NO2S2 — CID 14515252

IUPACethyl (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate
SMILESCCOC(=O)[C@@H]1CC2(CN1)SCCS2
InChIInChI=1S/C9H15NO2S2/c1-2-12-8(11)7-5-9(6-10-7)13-3-4-14-9/h7,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyWWLXLXORDXDZBW-ZETCQYMHSA-N
MW233.36 g/mol
LogP1.09
Rot. Bonds2

About ethyl (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate

ethyl (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate (PubChem CID 14515252) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is ethyl (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate.

Molecular Properties

Compound Nameethyl (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate
PubChem CID14515252
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC Nameethyl (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate
SMILESCCOC(=O)[C@@H]1CC2(CN1)SCCS2
InChIInChI=1S/C9H15NO2S2/c1-2-12-8(11)7-5-9(6-10-7)13-3-4-14-9/h7,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyWWLXLXORDXDZBW-ZETCQYMHSA-N
XLogP1.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate?
The IUPAC name of ethyl (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate (CID 14515252) is ethyl (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate.
What is the SMILES notation for ethyl (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate?
The canonical SMILES for ethyl (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate is CCOC(=O)[C@@H]1CC2(CN1)SCCS2.
What is the InChIKey of ethyl (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate?
The InChIKey is WWLXLXORDXDZBW-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO2S2/c1-2-12-8(11)7-5-9(6-10-7)13-3-4-14-9/h7,10H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of ethyl (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate?
ethyl (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate has a molecular weight of 233.36 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate is sourced from PubChem (CID 14515252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).