9-methyl-6-oxa-2-thia-9-azaspiro[4.5]decane

C8H15NOS — CID 155131264

IUPAC9-methyl-6-oxa-2-thia-9-azaspiro[4.5]decane
SMILESCN1CCOC2(CCSC2)C1
InChIInChI=1S/C8H15NOS/c1-9-3-4-10-8(6-9)2-5-11-7-8/h2-7H2,1H3
InChIKeyOPQCVRLXHJIRBH-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.82
Rot. Bonds

About 9-methyl-6-oxa-2-thia-9-azaspiro[4.5]decane

9-methyl-6-oxa-2-thia-9-azaspiro[4.5]decane (PubChem CID 155131264) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 9-methyl-6-oxa-2-thia-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-methyl-6-oxa-2-thia-9-azaspiro[4.5]decane
PubChem CID155131264
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name9-methyl-6-oxa-2-thia-9-azaspiro[4.5]decane
SMILESCN1CCOC2(CCSC2)C1
InChIInChI=1S/C8H15NOS/c1-9-3-4-10-8(6-9)2-5-11-7-8/h2-7H2,1H3
InChIKeyOPQCVRLXHJIRBH-UHFFFAOYSA-N
XLogP0.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-oxa-2-thia-9-azaspiro[4.5]decane?
The IUPAC name of 9-methyl-6-oxa-2-thia-9-azaspiro[4.5]decane (CID 155131264) is 9-methyl-6-oxa-2-thia-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-methyl-6-oxa-2-thia-9-azaspiro[4.5]decane?
The canonical SMILES for 9-methyl-6-oxa-2-thia-9-azaspiro[4.5]decane is CN1CCOC2(CCSC2)C1.
What is the InChIKey of 9-methyl-6-oxa-2-thia-9-azaspiro[4.5]decane?
The InChIKey is OPQCVRLXHJIRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-9-3-4-10-8(6-9)2-5-11-7-8/h2-7H2,1H3.
What are the key properties of 9-methyl-6-oxa-2-thia-9-azaspiro[4.5]decane?
9-methyl-6-oxa-2-thia-9-azaspiro[4.5]decane has a molecular weight of 173.28 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-oxa-2-thia-9-azaspiro[4.5]decane is sourced from PubChem (CID 155131264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).