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

C9H15NO2S2 — CID 14036261

IUPACmethyl 6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate
SMILESCOC(=O)C1CC2(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
InChIKeyMRYQJKWTWPKFNB-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.09
Rot. Bonds1

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

methyl 6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate (PubChem CID 14036261) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is methyl 6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Namemethyl 6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate
PubChem CID14036261
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC Namemethyl 6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate
SMILESCOC(=O)C1CC2(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
InChIKeyMRYQJKWTWPKFNB-UHFFFAOYSA-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

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Related Compounds

methyl (2S,4R)-4-(methylsulfanyl)pyrrolidine-2-carboxylate hydrochloride
CID 14036226
methyl (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate;hydrochloride
CID 13274673
methyl (2S,4S)-4-acetylsulfanylpyrrolidin-1-ium-2-carboxylate;2,2,2-trifluoroacetate
CID 10686951
(2S,4R)-Methyl 4-(methylthio)pyrrolidine-2-carboxylate
CID 14036227
(3-acetylsulfanyl-4,4,4-trifluorobutanoyl) (2S)-pyrrolidine-2-carboxylate
CID 88781337
Methyl 1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate
CID 13274670
Methyl (8S)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate
CID 13274671
1,4-dithia-7-azaspiro [4.4]nonane-8(S)-carboxylic acid, methyl ester hydrobromide
CID 13274672
Methyl 4-sulfanylpyrrolidine-2-carboxylate
CID 13324655
Methyl 4-methylsulfanylpyrrolidine-2-carboxylate
CID 14036223
methyl (3S)-6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate
CID 14036263
1,4-dithia-7-azaspiro-[4.4]nonane-8(S)-carboxylic acid, ethyl ester
CID 14515252

Frequently Asked Questions

What is the IUPAC name of methyl 6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate?
The IUPAC name of methyl 6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate (CID 14036261) is methyl 6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for methyl 6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for methyl 6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate is COC(=O)C1CC2(CN1)SCCCS2.
What is the InChIKey of methyl 6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate?
The InChIKey is MRYQJKWTWPKFNB-UHFFFAOYSA-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.
What are the key properties of methyl 6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate?
methyl 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 6,10-dithia-2-azaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 14036261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).