2-methylsulfanyl-6-azaspiro[3.4]octane

C8H15NS — CID 170133481

IUPAC2-methylsulfanyl-6-azaspiro[3.4]octane
SMILESCSC1CC2(CCNC2)C1
InChIInChI=1S/C8H15NS/c1-10-7-4-8(5-7)2-3-9-6-8/h7,9H,2-6H2,1H3
InChIKeyWRIDIJMXWGJIFV-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.49
Rot. Bonds1

About 2-methylsulfanyl-6-azaspiro[3.4]octane

2-methylsulfanyl-6-azaspiro[3.4]octane (PubChem CID 170133481) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-methylsulfanyl-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-methylsulfanyl-6-azaspiro[3.4]octane
PubChem CID170133481
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-methylsulfanyl-6-azaspiro[3.4]octane
SMILESCSC1CC2(CCNC2)C1
InChIInChI=1S/C8H15NS/c1-10-7-4-8(5-7)2-3-9-6-8/h7,9H,2-6H2,1H3
InChIKeyWRIDIJMXWGJIFV-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-azaspiro[3.4]octane?
The IUPAC name of 2-methylsulfanyl-6-azaspiro[3.4]octane (CID 170133481) is 2-methylsulfanyl-6-azaspiro[3.4]octane.
What is the SMILES notation for 2-methylsulfanyl-6-azaspiro[3.4]octane?
The canonical SMILES for 2-methylsulfanyl-6-azaspiro[3.4]octane is CSC1CC2(CCNC2)C1.
What is the InChIKey of 2-methylsulfanyl-6-azaspiro[3.4]octane?
The InChIKey is WRIDIJMXWGJIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-10-7-4-8(5-7)2-3-9-6-8/h7,9H,2-6H2,1H3.
What are the key properties of 2-methylsulfanyl-6-azaspiro[3.4]octane?
2-methylsulfanyl-6-azaspiro[3.4]octane has a molecular weight of 157.28 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-azaspiro[3.4]octane is sourced from PubChem (CID 170133481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).