8-ethyl-3,3-dimethyl-1-thia-4-azaspiro[4.5]decane

C12H23NS — CID 80500472

IUPAC8-ethyl-3,3-dimethyl-1-thia-4-azaspiro[4.5]decane
SMILESCCC1CCC2(CC1)NC(C)(C)CS2
InChIInChI=1S/C12H23NS/c1-4-10-5-7-12(8-6-10)13-11(2,3)9-14-12/h10,13H,4-9H2,1-3H3
InChIKeyZYXABCGGBLYYGL-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.40
Rot. Bonds1

About 8-ethyl-3,3-dimethyl-1-thia-4-azaspiro[4.5]decane

8-ethyl-3,3-dimethyl-1-thia-4-azaspiro[4.5]decane (PubChem CID 80500472) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 8-ethyl-3,3-dimethyl-1-thia-4-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-3,3-dimethyl-1-thia-4-azaspiro[4.5]decane
PubChem CID80500472
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name8-ethyl-3,3-dimethyl-1-thia-4-azaspiro[4.5]decane
SMILESCCC1CCC2(CC1)NC(C)(C)CS2
InChIInChI=1S/C12H23NS/c1-4-10-5-7-12(8-6-10)13-11(2,3)9-14-12/h10,13H,4-9H2,1-3H3
InChIKeyZYXABCGGBLYYGL-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane
CID 80500793
acetylene;4-ethyl-1,1-dimethylcyclohexane
CID 142009722
ethane;7-ethyl-2-azaspiro[3.5]nonane
CID 171834454
(3R)-8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
CID 7388199
1,4-diethyl-1-methylcyclohexane;ethane
CID 144637328
2-ethyl-4,4-dimethyl-2-(oxolan-3-yl)-1,3-thiazolidine
CID 130503579
(4aR,8aS)-2-ethyl-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
CID 54221269
(3R)-7-ethyl-3-methylspiro[3.5]nonane
CID 163822270
azane;ethylcyclopropane
CID 20975579
ethane;ethylcyclopropane
CID 91380076
1-(aminomethyl)-4-ethylcyclohexan-1-amine
CID 43519516
11-ethyl-7-oxa-15-azadispiro[5.1.58.36]hexadecane
CID 65213732

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3,3-dimethyl-1-thia-4-azaspiro[4.5]decane?
The IUPAC name of 8-ethyl-3,3-dimethyl-1-thia-4-azaspiro[4.5]decane (CID 80500472) is 8-ethyl-3,3-dimethyl-1-thia-4-azaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-3,3-dimethyl-1-thia-4-azaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-3,3-dimethyl-1-thia-4-azaspiro[4.5]decane is CCC1CCC2(CC1)NC(C)(C)CS2.
What is the InChIKey of 8-ethyl-3,3-dimethyl-1-thia-4-azaspiro[4.5]decane?
The InChIKey is ZYXABCGGBLYYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-4-10-5-7-12(8-6-10)13-11(2,3)9-14-12/h10,13H,4-9H2,1-3H3.
What are the key properties of 8-ethyl-3,3-dimethyl-1-thia-4-azaspiro[4.5]decane?
8-ethyl-3,3-dimethyl-1-thia-4-azaspiro[4.5]decane has a molecular weight of 213.39 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3,3-dimethyl-1-thia-4-azaspiro[4.5]decane is sourced from PubChem (CID 80500472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).