7-ethyl-3,3-dimethyl-5-thia-8-azaspiro[3.4]octane

C10H19NS — CID 130555258

IUPAC7-ethyl-3,3-dimethyl-5-thia-8-azaspiro[3.4]octane
SMILESCCC1CSC2(CCC2(C)C)N1
InChIInChI=1S/C10H19NS/c1-4-8-7-12-10(11-8)6-5-9(10,2)3/h8,11H,4-7H2,1-3H3
InChIKeyPJSDSQMVVXWDIZ-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.62
Rot. Bonds1

About 7-ethyl-3,3-dimethyl-5-thia-8-azaspiro[3.4]octane

7-ethyl-3,3-dimethyl-5-thia-8-azaspiro[3.4]octane (PubChem CID 130555258) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 7-ethyl-3,3-dimethyl-5-thia-8-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-ethyl-3,3-dimethyl-5-thia-8-azaspiro[3.4]octane
PubChem CID130555258
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name7-ethyl-3,3-dimethyl-5-thia-8-azaspiro[3.4]octane
SMILESCCC1CSC2(CCC2(C)C)N1
InChIInChI=1S/C10H19NS/c1-4-8-7-12-10(11-8)6-5-9(10,2)3/h8,11H,4-7H2,1-3H3
InChIKeyPJSDSQMVVXWDIZ-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,3-dimethyl-5-thia-8-azaspiro[3.4]octane?
The IUPAC name of 7-ethyl-3,3-dimethyl-5-thia-8-azaspiro[3.4]octane (CID 130555258) is 7-ethyl-3,3-dimethyl-5-thia-8-azaspiro[3.4]octane.
What is the SMILES notation for 7-ethyl-3,3-dimethyl-5-thia-8-azaspiro[3.4]octane?
The canonical SMILES for 7-ethyl-3,3-dimethyl-5-thia-8-azaspiro[3.4]octane is CCC1CSC2(CCC2(C)C)N1.
What is the InChIKey of 7-ethyl-3,3-dimethyl-5-thia-8-azaspiro[3.4]octane?
The InChIKey is PJSDSQMVVXWDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-8-7-12-10(11-8)6-5-9(10,2)3/h8,11H,4-7H2,1-3H3.
What are the key properties of 7-ethyl-3,3-dimethyl-5-thia-8-azaspiro[3.4]octane?
7-ethyl-3,3-dimethyl-5-thia-8-azaspiro[3.4]octane has a molecular weight of 185.34 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,3-dimethyl-5-thia-8-azaspiro[3.4]octane is sourced from PubChem (CID 130555258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).