9-methyl-6-oxa-2λ4-thia-9-azaspiro[4.5]decane 2-oxide

C8H15NO2S — CID 155131227

IUPAC9-methyl-6-oxa-2λ4-thia-9-azaspiro[4.5]decane 2-oxide
SMILESCN1CCOC2(CCS(=O)C2)C1
InChIInChI=1S/C8H15NO2S/c1-9-3-4-11-8(6-9)2-5-12(10)7-8/h2-7H2,1H3
InChIKeyMJFZZTSMSKVKRE-UHFFFAOYSA-N
MW189.28 g/mol
LogP-0.16
Rot. Bonds

About 9-methyl-6-oxa-2λ4-thia-9-azaspiro[4.5]decane 2-oxide

9-methyl-6-oxa-2λ4-thia-9-azaspiro[4.5]decane 2-oxide (PubChem CID 155131227) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 9-methyl-6-oxa-2λ4-thia-9-azaspiro[4.5]decane 2-oxide.

Molecular Properties

Compound Name9-methyl-6-oxa-2λ4-thia-9-azaspiro[4.5]decane 2-oxide
PubChem CID155131227
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name9-methyl-6-oxa-2λ4-thia-9-azaspiro[4.5]decane 2-oxide
SMILESCN1CCOC2(CCS(=O)C2)C1
InChIInChI=1S/C8H15NO2S/c1-9-3-4-11-8(6-9)2-5-12(10)7-8/h2-7H2,1H3
InChIKeyMJFZZTSMSKVKRE-UHFFFAOYSA-N
XLogP-0.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 5-0.16
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-2λ4-thia-9-azaspiro[4.5]decane 2-oxide?
The IUPAC name of 9-methyl-6-oxa-2λ4-thia-9-azaspiro[4.5]decane 2-oxide (CID 155131227) is 9-methyl-6-oxa-2λ4-thia-9-azaspiro[4.5]decane 2-oxide.
What is the SMILES notation for 9-methyl-6-oxa-2λ4-thia-9-azaspiro[4.5]decane 2-oxide?
The canonical SMILES for 9-methyl-6-oxa-2λ4-thia-9-azaspiro[4.5]decane 2-oxide is CN1CCOC2(CCS(=O)C2)C1.
What is the InChIKey of 9-methyl-6-oxa-2λ4-thia-9-azaspiro[4.5]decane 2-oxide?
The InChIKey is MJFZZTSMSKVKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-9-3-4-11-8(6-9)2-5-12(10)7-8/h2-7H2,1H3.
What are the key properties of 9-methyl-6-oxa-2λ4-thia-9-azaspiro[4.5]decane 2-oxide?
9-methyl-6-oxa-2λ4-thia-9-azaspiro[4.5]decane 2-oxide has a molecular weight of 189.28 g/mol, XLogP of -0.16, 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-2λ4-thia-9-azaspiro[4.5]decane 2-oxide is sourced from PubChem (CID 155131227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).