tert-butyl 4-amino-1-oxo-1λ4-thia-8-azaspiro[4.5]decane-8-carboxylate

C13H24N2O3S — CID 144887478

IUPACtert-butyl 4-amino-1-oxo-1λ4-thia-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)C(N)CCS2=O
InChIInChI=1S/C13H24N2O3S/c1-12(2,3)18-11(16)15-7-5-13(6-8-15)10(14)4-9-19(13)17/h10H,4-9,14H2,1-3H3
InChIKeyDOEMCSNOMKURIH-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.24
Rot. Bonds

About tert-butyl 4-amino-1-oxo-1λ4-thia-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl 4-amino-1-oxo-1λ4-thia-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 144887478) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is tert-butyl 4-amino-1-oxo-1λ4-thia-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-1-oxo-1λ4-thia-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID144887478
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Nametert-butyl 4-amino-1-oxo-1λ4-thia-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)C(N)CCS2=O
InChIInChI=1S/C13H24N2O3S/c1-12(2,3)18-11(16)15-7-5-13(6-8-15)10(14)4-9-19(13)17/h10H,4-9,14H2,1-3H3
InChIKeyDOEMCSNOMKURIH-UHFFFAOYSA-N
XLogP1.24
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 130609664
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CID 86280112
tert-butyl 2-(bromomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 121207544
tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
tert-butyl (4S)-4-amino-2,2-difluoro-8-azaspiro[4.5]decane-8-carboxylate
CID 155904836
tert-butyl 5-amino-2-methyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 135396359
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 71630735
tert-butyl 4-amino-4-(cyclopropylmethyl)piperidine-1-carboxylate
CID 86276716
tert-butyl 4-amino-4-[formyl(methyl)amino]piperidine-1-carboxylate
CID 139387096

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-1-oxo-1λ4-thia-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 4-amino-1-oxo-1λ4-thia-8-azaspiro[4.5]decane-8-carboxylate (CID 144887478) is tert-butyl 4-amino-1-oxo-1λ4-thia-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-1-oxo-1λ4-thia-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 4-amino-1-oxo-1λ4-thia-8-azaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)C(N)CCS2=O.
What is the InChIKey of tert-butyl 4-amino-1-oxo-1λ4-thia-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is DOEMCSNOMKURIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-12(2,3)18-11(16)15-7-5-13(6-8-15)10(14)4-9-19(13)17/h10H,4-9,14H2,1-3H3.
What are the key properties of tert-butyl 4-amino-1-oxo-1λ4-thia-8-azaspiro[4.5]decane-8-carboxylate?
tert-butyl 4-amino-1-oxo-1λ4-thia-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 288.41 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-1-oxo-1λ4-thia-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 144887478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).