3-ethyl-7,7-dimethyl-1-thia-4,8-diazaspiro[4.5]decane

C11H22N2S — CID 164646753

IUPAC3-ethyl-7,7-dimethyl-1-thia-4,8-diazaspiro[4.5]decane
SMILESCCC1CSC2(CCNC(C)(C)C2)N1
InChIInChI=1S/C11H22N2S/c1-4-9-7-14-11(13-9)5-6-12-10(2,3)8-11/h9,12-13H,4-8H2,1-3H3
InChIKeyYHQWBUILWYXNTB-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.96
Rot. Bonds1

About 3-ethyl-7,7-dimethyl-1-thia-4,8-diazaspiro[4.5]decane

3-ethyl-7,7-dimethyl-1-thia-4,8-diazaspiro[4.5]decane (PubChem CID 164646753) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 3-ethyl-7,7-dimethyl-1-thia-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethyl-7,7-dimethyl-1-thia-4,8-diazaspiro[4.5]decane
PubChem CID164646753
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name3-ethyl-7,7-dimethyl-1-thia-4,8-diazaspiro[4.5]decane
SMILESCCC1CSC2(CCNC(C)(C)C2)N1
InChIInChI=1S/C11H22N2S/c1-4-9-7-14-11(13-9)5-6-12-10(2,3)8-11/h9,12-13H,4-8H2,1-3H3
InChIKeyYHQWBUILWYXNTB-UHFFFAOYSA-N
XLogP1.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-thia-4,9-diazaspiro[4.5]decane
CID 80500848
4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane
CID 164646754
3-ethyl-7-propan-2-yl-8-oxa-1-thia-4-azaspiro[4.5]decane
CID 80500654
7-ethyl-3,3-dimethyl-5-thia-8-azaspiro[3.4]octane
CID 130555258
3-ethyl-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane
CID 80500491
3-ethyl-8-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane
CID 80500818
3-ethyl-6-methyl-7-oxa-1-thia-4-azaspiro[4.4]nonane
CID 82717464
4-ethyl-2,2-di(propan-2-yl)-1,3-thiazolidine
CID 126978863
tert-butyl 3-ethyl-1-thia-4,7-diazaspiro[4.4]nonane-7-carboxylate
CID 131228410
7-ethyl-2,3-dimethyl-5-thia-8-azaspiro[3.4]octane
CID 130709676
4,4-diethoxy-2,2-dimethylpiperidine
CID 166543313
2-ethyl-1-thia-4,8-diazaspiro[4.5]decane
CID 167067647

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7,7-dimethyl-1-thia-4,8-diazaspiro[4.5]decane?
The IUPAC name of 3-ethyl-7,7-dimethyl-1-thia-4,8-diazaspiro[4.5]decane (CID 164646753) is 3-ethyl-7,7-dimethyl-1-thia-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 3-ethyl-7,7-dimethyl-1-thia-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 3-ethyl-7,7-dimethyl-1-thia-4,8-diazaspiro[4.5]decane is CCC1CSC2(CCNC(C)(C)C2)N1.
What is the InChIKey of 3-ethyl-7,7-dimethyl-1-thia-4,8-diazaspiro[4.5]decane?
The InChIKey is YHQWBUILWYXNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-4-9-7-14-11(13-9)5-6-12-10(2,3)8-11/h9,12-13H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-7,7-dimethyl-1-thia-4,8-diazaspiro[4.5]decane?
3-ethyl-7,7-dimethyl-1-thia-4,8-diazaspiro[4.5]decane has a molecular weight of 214.38 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7,7-dimethyl-1-thia-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 164646753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).