8-tert-butyl-2-thia-8-azaspiro[4.5]decane

C12H23NS — CID 134462554

IUPAC8-tert-butyl-2-thia-8-azaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CCSC2)CC1
InChIInChI=1S/C12H23NS/c1-11(2,3)13-7-4-12(5-8-13)6-9-14-10-12/h4-10H2,1-3H3
InChIKeyBWCVFXBZTKUHSU-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.00
Rot. Bonds

About 8-tert-butyl-2-thia-8-azaspiro[4.5]decane

8-tert-butyl-2-thia-8-azaspiro[4.5]decane (PubChem CID 134462554) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 8-tert-butyl-2-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-2-thia-8-azaspiro[4.5]decane
PubChem CID134462554
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name8-tert-butyl-2-thia-8-azaspiro[4.5]decane
SMILESCC(C)(C)N1CCC2(CCSC2)CC1
InChIInChI=1S/C12H23NS/c1-11(2,3)13-7-4-12(5-8-13)6-9-14-10-12/h4-10H2,1-3H3
InChIKeyBWCVFXBZTKUHSU-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20542465
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2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane
CID 167549222
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CID 170255368
7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane
CID 12691872
8-tert-butyl-8-aza-2-azanidaspiro[4.5]decane;rhenium
CID 59577455
8-tert-butyl-2-ethyl-2,8-diazaspiro[4.5]decane
CID 147776127
7-tert-butyl-2-isocyano-7-azaspiro[3.5]nonane
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3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 59505474
(4-amino-1-tert-butylpiperidin-4-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-thia-8-azaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-2-thia-8-azaspiro[4.5]decane (CID 134462554) is 8-tert-butyl-2-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-2-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-2-thia-8-azaspiro[4.5]decane is CC(C)(C)N1CCC2(CCSC2)CC1.
What is the InChIKey of 8-tert-butyl-2-thia-8-azaspiro[4.5]decane?
The InChIKey is BWCVFXBZTKUHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-11(2,3)13-7-4-12(5-8-13)6-9-14-10-12/h4-10H2,1-3H3.
What are the key properties of 8-tert-butyl-2-thia-8-azaspiro[4.5]decane?
8-tert-butyl-2-thia-8-azaspiro[4.5]decane has a molecular weight of 213.39 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 134462554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).