tert-butyl 3-oxo-6,10-dithia-2-azaspiro[4.5]decane-2-carboxylate

C12H19NO3S2 — CID 87566286

IUPACtert-butyl 3-oxo-6,10-dithia-2-azaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC1=O)SCCCS2
InChIInChI=1S/C12H19NO3S2/c1-11(2,3)16-10(15)13-8-12(7-9(13)14)17-5-4-6-18-12/h4-8H2,1-3H3
InChIKeyHUVWPELVZOYDTD-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.72
Rot. Bonds

About tert-butyl 3-oxo-6,10-dithia-2-azaspiro[4.5]decane-2-carboxylate

tert-butyl 3-oxo-6,10-dithia-2-azaspiro[4.5]decane-2-carboxylate (PubChem CID 87566286) has the molecular formula C12H19NO3S2 and a molecular weight of 289.42 g/mol. Its IUPAC name is tert-butyl 3-oxo-6,10-dithia-2-azaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-oxo-6,10-dithia-2-azaspiro[4.5]decane-2-carboxylate
PubChem CID87566286
Molecular FormulaC12H19NO3S2
Molecular Weight289.42 g/mol
Exact Mass289.08
IUPAC Nametert-butyl 3-oxo-6,10-dithia-2-azaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC1=O)SCCCS2
InChIInChI=1S/C12H19NO3S2/c1-11(2,3)16-10(15)13-8-12(7-9(13)14)17-5-4-6-18-12/h4-8H2,1-3H3
InChIKeyHUVWPELVZOYDTD-UHFFFAOYSA-N
XLogP2.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ditert-butyl 3,6-dioxodiazinane-1,2-dicarboxylate
CID 101100447
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tert-butyl 1-oxo-2-azaspiro[4.4]nonane-2-carboxylate
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tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate
CID 10846260
tert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate
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3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-2H-azete-4-carboxylic acid
CID 167718053
tert-butyl 2-oxo-1-azacyclotridec-11-ene-1-carboxylate
CID 135018057
tert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate
CID 170718438
CID 58545566
CID 58545566
tert-butyl 2-(4,4-difluorocyclohexyl)-5-oxopyrrolidine-1-carboxylate
CID 146633700
tert-butyl 2-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 154707076
tert-butyl 2,8-dioxo-1-azaspiro[4.5]decane-1-carboxylate
CID 58574724

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-oxo-6,10-dithia-2-azaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 3-oxo-6,10-dithia-2-azaspiro[4.5]decane-2-carboxylate (CID 87566286) is tert-butyl 3-oxo-6,10-dithia-2-azaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 3-oxo-6,10-dithia-2-azaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 3-oxo-6,10-dithia-2-azaspiro[4.5]decane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CC1=O)SCCCS2.
What is the InChIKey of tert-butyl 3-oxo-6,10-dithia-2-azaspiro[4.5]decane-2-carboxylate?
The InChIKey is HUVWPELVZOYDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S2/c1-11(2,3)16-10(15)13-8-12(7-9(13)14)17-5-4-6-18-12/h4-8H2,1-3H3.
What are the key properties of tert-butyl 3-oxo-6,10-dithia-2-azaspiro[4.5]decane-2-carboxylate?
tert-butyl 3-oxo-6,10-dithia-2-azaspiro[4.5]decane-2-carboxylate has a molecular weight of 289.42 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-oxo-6,10-dithia-2-azaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 87566286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).