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

C10H19NS — CID 62354800

IUPAC1,1-dimethyl-8-thia-2-azaspiro[4.5]decane
SMILESCC1(C)NCCC12CCSCC2
InChIInChI=1S/C10H19NS/c1-9(2)10(3-6-11-9)4-7-12-8-5-10/h11H,3-8H2,1-2H3
InChIKeyRQHOSRXEZPPYTE-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.27
Rot. Bonds

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

1,1-dimethyl-8-thia-2-azaspiro[4.5]decane (PubChem CID 62354800) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1,1-dimethyl-8-thia-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name1,1-dimethyl-8-thia-2-azaspiro[4.5]decane
PubChem CID62354800
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1,1-dimethyl-8-thia-2-azaspiro[4.5]decane
SMILESCC1(C)NCCC12CCSCC2
InChIInChI=1S/C10H19NS/c1-9(2)10(3-6-11-9)4-7-12-8-5-10/h11H,3-8H2,1-2H3
InChIKeyRQHOSRXEZPPYTE-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-8-thia-2-azaspiro[4.5]decane?
The IUPAC name of 1,1-dimethyl-8-thia-2-azaspiro[4.5]decane (CID 62354800) is 1,1-dimethyl-8-thia-2-azaspiro[4.5]decane.
What is the SMILES notation for 1,1-dimethyl-8-thia-2-azaspiro[4.5]decane?
The canonical SMILES for 1,1-dimethyl-8-thia-2-azaspiro[4.5]decane is CC1(C)NCCC12CCSCC2.
What is the InChIKey of 1,1-dimethyl-8-thia-2-azaspiro[4.5]decane?
The InChIKey is RQHOSRXEZPPYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-9(2)10(3-6-11-9)4-7-12-8-5-10/h11H,3-8H2,1-2H3.
What are the key properties of 1,1-dimethyl-8-thia-2-azaspiro[4.5]decane?
1,1-dimethyl-8-thia-2-azaspiro[4.5]decane has a molecular weight of 185.34 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-8-thia-2-azaspiro[4.5]decane is sourced from PubChem (CID 62354800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).