methyl 2-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetate

C11H17NO3S — CID 102451370

IUPACmethyl 2-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetate
SMILESCOC(=O)CN1C(=O)CSC12CCCCC2
InChIInChI=1S/C11H17NO3S/c1-15-10(14)7-12-9(13)8-16-11(12)5-3-2-4-6-11/h2-8H2,1H3
InChIKeyHXEFKGKDSORMGH-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.40
Rot. Bonds2

About methyl 2-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetate

methyl 2-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetate (PubChem CID 102451370) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is methyl 2-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetate
PubChem CID102451370
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Namemethyl 2-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetate
SMILESCOC(=O)CN1C(=O)CSC12CCCCC2
InChIInChI=1S/C11H17NO3S/c1-15-10(14)7-12-9(13)8-16-11(12)5-3-2-4-6-11/h2-8H2,1H3
InChIKeyHXEFKGKDSORMGH-UHFFFAOYSA-N
XLogP1.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-2-hydroxypropyl]-1-thia-4-azaspiro[4.5]decan-3-one
CID 1203177
N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113036
methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate;hydrochloride
CID 167721817
methyl 3-(1-methyl-2-oxocycloheptyl)propanoate
CID 14691914
methyl 2-(2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetate
CID 171497124
methyl 3-(15-oxo-7,14-diazadispiro[5.1.58.26]pentadecan-14-yl)propanoate
CID 151378507
methyl 2-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)acetate
CID 7353834
methyl 2-(2-oxopiperazin-1-yl)acetate;hydrochloride
CID 54759045
methyl 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 43410731
methyl 2-(4-oxoimidazolidin-1-yl)acetate
CID 54355250
methyl 2-(6-azaspiro[2.5]octan-6-yl)acetate
CID 130684620
methyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate
CID 73013471

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetate?
The IUPAC name of methyl 2-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetate (CID 102451370) is methyl 2-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetate.
What is the SMILES notation for methyl 2-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetate?
The canonical SMILES for methyl 2-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetate is COC(=O)CN1C(=O)CSC12CCCCC2.
What is the InChIKey of methyl 2-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetate?
The InChIKey is HXEFKGKDSORMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-15-10(14)7-12-9(13)8-16-11(12)5-3-2-4-6-11/h2-8H2,1H3.
What are the key properties of methyl 2-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetate?
methyl 2-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetate has a molecular weight of 243.33 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetate is sourced from PubChem (CID 102451370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).