8-methyl-2-thia-8-azaspiro[4.5]decane

C9H17NS — CID 123683470

IUPAC8-methyl-2-thia-8-azaspiro[4.5]decane
SMILESCN1CCC2(CCSC2)CC1
InChIInChI=1S/C9H17NS/c1-10-5-2-9(3-6-10)4-7-11-8-9/h2-8H2,1H3
InChIKeyLQSVPVWWQLEBRJ-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.84
Rot. Bonds

About 8-methyl-2-thia-8-azaspiro[4.5]decane

8-methyl-2-thia-8-azaspiro[4.5]decane (PubChem CID 123683470) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 8-methyl-2-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-methyl-2-thia-8-azaspiro[4.5]decane
PubChem CID123683470
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name8-methyl-2-thia-8-azaspiro[4.5]decane
SMILESCN1CCC2(CCSC2)CC1
InChIInChI=1S/C9H17NS/c1-10-5-2-9(3-6-10)4-7-11-8-9/h2-8H2,1H3
InChIKeyLQSVPVWWQLEBRJ-UHFFFAOYSA-N
XLogP1.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-thia-8-azaspiro[4.5]decane?
The IUPAC name of 8-methyl-2-thia-8-azaspiro[4.5]decane (CID 123683470) is 8-methyl-2-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-methyl-2-thia-8-azaspiro[4.5]decane?
The canonical SMILES for 8-methyl-2-thia-8-azaspiro[4.5]decane is CN1CCC2(CCSC2)CC1.
What is the InChIKey of 8-methyl-2-thia-8-azaspiro[4.5]decane?
The InChIKey is LQSVPVWWQLEBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-10-5-2-9(3-6-10)4-7-11-8-9/h2-8H2,1H3.
What are the key properties of 8-methyl-2-thia-8-azaspiro[4.5]decane?
8-methyl-2-thia-8-azaspiro[4.5]decane has a molecular weight of 171.31 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 123683470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).