2,8-dimethyl-1λ4-thia-8-azaspiro[4.5]decane 1-oxide

C10H19NOS — CID 67822610

IUPAC2,8-dimethyl-1λ4-thia-8-azaspiro[4.5]decane 1-oxide
SMILESCC1CCC2(CCN(C)CC2)S1=O
InChIInChI=1S/C10H19NOS/c1-9-3-4-10(13(9)12)5-7-11(2)8-6-10/h9H,3-8H2,1-2H3
InChIKeyGRHVKKCLSXTKKU-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.38
Rot. Bonds

About 2,8-dimethyl-1λ4-thia-8-azaspiro[4.5]decane 1-oxide

2,8-dimethyl-1λ4-thia-8-azaspiro[4.5]decane 1-oxide (PubChem CID 67822610) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 2,8-dimethyl-1λ4-thia-8-azaspiro[4.5]decane 1-oxide.

Molecular Properties

Compound Name2,8-dimethyl-1λ4-thia-8-azaspiro[4.5]decane 1-oxide
PubChem CID67822610
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name2,8-dimethyl-1λ4-thia-8-azaspiro[4.5]decane 1-oxide
SMILESCC1CCC2(CCN(C)CC2)S1=O
InChIInChI=1S/C10H19NOS/c1-9-3-4-10(13(9)12)5-7-11(2)8-6-10/h9H,3-8H2,1-2H3
InChIKeyGRHVKKCLSXTKKU-UHFFFAOYSA-N
XLogP1.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-1λ4-thia-8-azaspiro[4.5]decane 1-oxide?
The IUPAC name of 2,8-dimethyl-1λ4-thia-8-azaspiro[4.5]decane 1-oxide (CID 67822610) is 2,8-dimethyl-1λ4-thia-8-azaspiro[4.5]decane 1-oxide.
What is the SMILES notation for 2,8-dimethyl-1λ4-thia-8-azaspiro[4.5]decane 1-oxide?
The canonical SMILES for 2,8-dimethyl-1λ4-thia-8-azaspiro[4.5]decane 1-oxide is CC1CCC2(CCN(C)CC2)S1=O.
What is the InChIKey of 2,8-dimethyl-1λ4-thia-8-azaspiro[4.5]decane 1-oxide?
The InChIKey is GRHVKKCLSXTKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-9-3-4-10(13(9)12)5-7-11(2)8-6-10/h9H,3-8H2,1-2H3.
What are the key properties of 2,8-dimethyl-1λ4-thia-8-azaspiro[4.5]decane 1-oxide?
2,8-dimethyl-1λ4-thia-8-azaspiro[4.5]decane 1-oxide has a molecular weight of 201.33 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-1λ4-thia-8-azaspiro[4.5]decane 1-oxide is sourced from PubChem (CID 67822610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).