tert-butyl 8-methyl-5-thia-2,8-diazaspiro[3.4]octane-2-carboxylate

C11H20N2O2S — CID 169318487

IUPACtert-butyl 8-methyl-5-thia-2,8-diazaspiro[3.4]octane-2-carboxylate
SMILESCN1CCSC12CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C11H20N2O2S/c1-10(2,3)15-9(14)13-7-11(8-13)12(4)5-6-16-11/h5-8H2,1-4H3
InChIKeyTWJTUMULJHWFEH-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.61
Rot. Bonds

About tert-butyl 8-methyl-5-thia-2,8-diazaspiro[3.4]octane-2-carboxylate

tert-butyl 8-methyl-5-thia-2,8-diazaspiro[3.4]octane-2-carboxylate (PubChem CID 169318487) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is tert-butyl 8-methyl-5-thia-2,8-diazaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-methyl-5-thia-2,8-diazaspiro[3.4]octane-2-carboxylate
PubChem CID169318487
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Nametert-butyl 8-methyl-5-thia-2,8-diazaspiro[3.4]octane-2-carboxylate
SMILESCN1CCSC12CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C11H20N2O2S/c1-10(2,3)15-9(14)13-7-11(8-13)12(4)5-6-16-11/h5-8H2,1-4H3
InChIKeyTWJTUMULJHWFEH-UHFFFAOYSA-N
XLogP1.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 90236843
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 1,4,7,10-tetrathia-13-azacyclopentadecane-13-carboxylate
CID 166609732
tert-butyl 3-amino-3-(aminomethyl)azetidine-1-carboxylate
CID 135393346
tert-butyl 6-methyl-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 167717811
tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate
CID 58530249
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
tert-butyl 3,3-bis(methylamino)azetidine-1-carboxylate
CID 174271991
tert-butyl 7-(hydroxymethyl)-5-methyl-2,5-diazaspiro[3.4]octane-2-carboxylate
CID 131231295
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-methyl-5-thia-2,8-diazaspiro[3.4]octane-2-carboxylate?
The IUPAC name of tert-butyl 8-methyl-5-thia-2,8-diazaspiro[3.4]octane-2-carboxylate (CID 169318487) is tert-butyl 8-methyl-5-thia-2,8-diazaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-methyl-5-thia-2,8-diazaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for tert-butyl 8-methyl-5-thia-2,8-diazaspiro[3.4]octane-2-carboxylate is CN1CCSC12CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 8-methyl-5-thia-2,8-diazaspiro[3.4]octane-2-carboxylate?
The InChIKey is TWJTUMULJHWFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-10(2,3)15-9(14)13-7-11(8-13)12(4)5-6-16-11/h5-8H2,1-4H3.
What are the key properties of tert-butyl 8-methyl-5-thia-2,8-diazaspiro[3.4]octane-2-carboxylate?
tert-butyl 8-methyl-5-thia-2,8-diazaspiro[3.4]octane-2-carboxylate has a molecular weight of 244.36 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-methyl-5-thia-2,8-diazaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 169318487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).