7-ethyl-2,3-dimethyl-5-thia-8-azaspiro[3.4]octane

C10H19NS — CID 130709676

IUPAC7-ethyl-2,3-dimethyl-5-thia-8-azaspiro[3.4]octane
SMILESCCC1CSC2(CC(C)C2C)N1
InChIInChI=1S/C10H19NS/c1-4-9-6-12-10(11-9)5-7(2)8(10)3/h7-9,11H,4-6H2,1-3H3
InChIKeyMWBGBFFUZQYIMW-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.47
Rot. Bonds1

About 7-ethyl-2,3-dimethyl-5-thia-8-azaspiro[3.4]octane

7-ethyl-2,3-dimethyl-5-thia-8-azaspiro[3.4]octane (PubChem CID 130709676) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 7-ethyl-2,3-dimethyl-5-thia-8-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-ethyl-2,3-dimethyl-5-thia-8-azaspiro[3.4]octane
PubChem CID130709676
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name7-ethyl-2,3-dimethyl-5-thia-8-azaspiro[3.4]octane
SMILESCCC1CSC2(CC(C)C2C)N1
InChIInChI=1S/C10H19NS/c1-4-9-6-12-10(11-9)5-7(2)8(10)3/h7-9,11H,4-6H2,1-3H3
InChIKeyMWBGBFFUZQYIMW-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,3-dimethyl-5-thia-8-azaspiro[3.4]octane?
The IUPAC name of 7-ethyl-2,3-dimethyl-5-thia-8-azaspiro[3.4]octane (CID 130709676) is 7-ethyl-2,3-dimethyl-5-thia-8-azaspiro[3.4]octane.
What is the SMILES notation for 7-ethyl-2,3-dimethyl-5-thia-8-azaspiro[3.4]octane?
The canonical SMILES for 7-ethyl-2,3-dimethyl-5-thia-8-azaspiro[3.4]octane is CCC1CSC2(CC(C)C2C)N1.
What is the InChIKey of 7-ethyl-2,3-dimethyl-5-thia-8-azaspiro[3.4]octane?
The InChIKey is MWBGBFFUZQYIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-9-6-12-10(11-9)5-7(2)8(10)3/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 7-ethyl-2,3-dimethyl-5-thia-8-azaspiro[3.4]octane?
7-ethyl-2,3-dimethyl-5-thia-8-azaspiro[3.4]octane has a molecular weight of 185.34 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,3-dimethyl-5-thia-8-azaspiro[3.4]octane is sourced from PubChem (CID 130709676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).