6-methyl-1-thia-6-azaspiro[3.3]heptane

C6H11NS — CID 90368388

IUPAC6-methyl-1-thia-6-azaspiro[3.3]heptane
SMILESCN1CC2(CCS2)C1
InChIInChI=1S/C6H11NS/c1-7-4-6(5-7)2-3-8-6/h2-5H2,1H3
InChIKeySOSUACOQNGSOGG-UHFFFAOYSA-N
MW129.23 g/mol
LogP0.81
Rot. Bonds

About 6-methyl-1-thia-6-azaspiro[3.3]heptane

6-methyl-1-thia-6-azaspiro[3.3]heptane (PubChem CID 90368388) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 6-methyl-1-thia-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-methyl-1-thia-6-azaspiro[3.3]heptane
PubChem CID90368388
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name6-methyl-1-thia-6-azaspiro[3.3]heptane
SMILESCN1CC2(CCS2)C1
InChIInChI=1S/C6H11NS/c1-7-4-6(5-7)2-3-8-6/h2-5H2,1H3
InChIKeySOSUACOQNGSOGG-UHFFFAOYSA-N
XLogP0.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-thia-6-azaspiro[3.3]heptane?
The IUPAC name of 6-methyl-1-thia-6-azaspiro[3.3]heptane (CID 90368388) is 6-methyl-1-thia-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-methyl-1-thia-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-methyl-1-thia-6-azaspiro[3.3]heptane is CN1CC2(CCS2)C1.
What is the InChIKey of 6-methyl-1-thia-6-azaspiro[3.3]heptane?
The InChIKey is SOSUACOQNGSOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-7-4-6(5-7)2-3-8-6/h2-5H2,1H3.
What are the key properties of 6-methyl-1-thia-6-azaspiro[3.3]heptane?
6-methyl-1-thia-6-azaspiro[3.3]heptane has a molecular weight of 129.23 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-thia-6-azaspiro[3.3]heptane is sourced from PubChem (CID 90368388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).