ethyl 8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate

C11H20N2O2S — CID 12900627

IUPACethyl 8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate
SMILESCCOC(=O)C1CSC2(CCN(C)CC2)N1
InChIInChI=1S/C11H20N2O2S/c1-3-15-10(14)9-8-16-11(12-9)4-6-13(2)7-5-11/h9,12H,3-8H2,1-2H3
InChIKeyIDNDDXAWSCYSII-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.68
Rot. Bonds2

About ethyl 8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate

ethyl 8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate (PubChem CID 12900627) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is ethyl 8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate
PubChem CID12900627
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Nameethyl 8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate
SMILESCCOC(=O)C1CSC2(CCN(C)CC2)N1
InChIInChI=1S/C11H20N2O2S/c1-3-15-10(14)9-8-16-11(12-9)4-6-13(2)7-5-11/h9,12H,3-8H2,1-2H3
InChIKeyIDNDDXAWSCYSII-UHFFFAOYSA-N
XLogP0.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 8-benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate
CID 12900626
ethyl 4-methylpiperazine-2-carboxylate
CID 12558522
diethyl 1-methylpiperidine-4,4-dicarboxylate
CID 121001338
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
(3R)-8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
CID 7388199
diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
ethyl (3R)-1,1-dioxo-1,2-thiazolidine-3-carboxylate
CID 27282195
ethyl 1-oxa-4-azaspiro[4.4]nonane-3-carboxylate
CID 131538145
ethyl (2S)-5-aminopyrrolidine-2-carboxylate
CID 118106276
ethyl 5-(4-fluorophenyl)-5-hydroxy-1-methylazepane-4-carboxylate
CID 71216496
ethyl 4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]cyclohexane-1-carboxylate
CID 106498365
ethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate
CID 123369581

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate?
The IUPAC name of ethyl 8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate (CID 12900627) is ethyl 8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for ethyl 8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for ethyl 8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate is CCOC(=O)C1CSC2(CCN(C)CC2)N1.
What is the InChIKey of ethyl 8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate?
The InChIKey is IDNDDXAWSCYSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-3-15-10(14)9-8-16-11(12-9)4-6-13(2)7-5-11/h9,12H,3-8H2,1-2H3.
What are the key properties of ethyl 8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate?
ethyl 8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate has a molecular weight of 244.36 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 12900627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).