tert-butyl 2-methyl-1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate

C14H26N2O2S — CID 130490565

IUPACtert-butyl 2-methyl-1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC1CCNC2(CCN(C(=O)OC(C)(C)C)CC2)S1
InChIInChI=1S/C14H26N2O2S/c1-11-5-8-15-14(19-11)6-9-16(10-7-14)12(17)18-13(2,3)4/h11,15H,5-10H2,1-4H3
InChIKeyGMPYPTQBWPWIDI-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.83
Rot. Bonds

About tert-butyl 2-methyl-1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate

tert-butyl 2-methyl-1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 130490565) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is tert-butyl 2-methyl-1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID130490565
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Nametert-butyl 2-methyl-1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC1CCNC2(CCN(C(=O)OC(C)(C)C)CC2)S1
InChIInChI=1S/C14H26N2O2S/c1-11-5-8-15-14(19-11)6-9-16(10-7-14)12(17)18-13(2,3)4/h11,15H,5-10H2,1-4H3
InChIKeyGMPYPTQBWPWIDI-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate
CID 130490562
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate
CID 25212666
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 4-aminosulfanylpiperidine-1-carboxylate
CID 135202849
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride
CID 115053505
tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 115048250
tert-butyl 3-formyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 171372841
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl 4-isocyano-4-methylsulfanylpiperidine-1-carboxylate
CID 158931018

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of tert-butyl 2-methyl-1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate (CID 130490565) is tert-butyl 2-methyl-1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate is CC1CCNC2(CCN(C(=O)OC(C)(C)C)CC2)S1.
What is the InChIKey of tert-butyl 2-methyl-1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is GMPYPTQBWPWIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-11-5-8-15-14(19-11)6-9-16(10-7-14)12(17)18-13(2,3)4/h11,15H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-methyl-1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate?
tert-butyl 2-methyl-1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 286.44 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-1-thia-5,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 130490565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).