methyl (3S)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate

C9H15NO2S2 — CID 14036263

IUPACmethyl (3S)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate
SMILESCOC(=O)[C@@H]1CC2(CN1)SCCCS2
InChIInChI=1S/C9H15NO2S2/c1-12-8(11)7-5-9(6-10-7)13-3-2-4-14-9/h7,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyMRYQJKWTWPKFNB-ZETCQYMHSA-N
MW233.36 g/mol
LogP1.09
Rot. Bonds1

About methyl (3S)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate

methyl (3S)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate (PubChem CID 14036263) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is methyl (3S)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate
PubChem CID14036263
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC Namemethyl (3S)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate
SMILESCOC(=O)[C@@H]1CC2(CN1)SCCCS2
InChIInChI=1S/C9H15NO2S2/c1-12-8(11)7-5-9(6-10-7)13-3-2-4-14-9/h7,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyMRYQJKWTWPKFNB-ZETCQYMHSA-N
XLogP1.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
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

Analyze methyl (3S)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate?
The IUPAC name of methyl (3S)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate (CID 14036263) is methyl (3S)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for methyl (3S)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for methyl (3S)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate is COC(=O)[C@@H]1CC2(CN1)SCCCS2.
What is the InChIKey of methyl (3S)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate?
The InChIKey is MRYQJKWTWPKFNB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO2S2/c1-12-8(11)7-5-9(6-10-7)13-3-2-4-14-9/h7,10H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of methyl (3S)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate?
methyl (3S)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate has a molecular weight of 233.36 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 14036263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).