6-methyl-2-(methylsulfanylmethyl)-6-azaspiro[3.4]octane

C10H19NS — CID 146488492

IUPAC6-methyl-2-(methylsulfanylmethyl)-6-azaspiro[3.4]octane
SMILESCSCC1CC2(CCN(C)C2)C1
InChIInChI=1S/C10H19NS/c1-11-4-3-10(8-11)5-9(6-10)7-12-2/h9H,3-8H2,1-2H3
InChIKeyDUNIGIRJQKKAAS-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.08
Rot. Bonds2

About 6-methyl-2-(methylsulfanylmethyl)-6-azaspiro[3.4]octane

6-methyl-2-(methylsulfanylmethyl)-6-azaspiro[3.4]octane (PubChem CID 146488492) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 6-methyl-2-(methylsulfanylmethyl)-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-methyl-2-(methylsulfanylmethyl)-6-azaspiro[3.4]octane
PubChem CID146488492
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name6-methyl-2-(methylsulfanylmethyl)-6-azaspiro[3.4]octane
SMILESCSCC1CC2(CCN(C)C2)C1
InChIInChI=1S/C10H19NS/c1-11-4-3-10(8-11)5-9(6-10)7-12-2/h9H,3-8H2,1-2H3
InChIKeyDUNIGIRJQKKAAS-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methyl-2-(methylsulfanylmethyl)-6-azaspiro[3.4]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(methylsulfanylmethyl)-6-azaspiro[3.4]octane?
The IUPAC name of 6-methyl-2-(methylsulfanylmethyl)-6-azaspiro[3.4]octane (CID 146488492) is 6-methyl-2-(methylsulfanylmethyl)-6-azaspiro[3.4]octane.
What is the SMILES notation for 6-methyl-2-(methylsulfanylmethyl)-6-azaspiro[3.4]octane?
The canonical SMILES for 6-methyl-2-(methylsulfanylmethyl)-6-azaspiro[3.4]octane is CSCC1CC2(CCN(C)C2)C1.
What is the InChIKey of 6-methyl-2-(methylsulfanylmethyl)-6-azaspiro[3.4]octane?
The InChIKey is DUNIGIRJQKKAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-11-4-3-10(8-11)5-9(6-10)7-12-2/h9H,3-8H2,1-2H3.
What are the key properties of 6-methyl-2-(methylsulfanylmethyl)-6-azaspiro[3.4]octane?
6-methyl-2-(methylsulfanylmethyl)-6-azaspiro[3.4]octane has a molecular weight of 185.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(methylsulfanylmethyl)-6-azaspiro[3.4]octane is sourced from PubChem (CID 146488492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).