1-thia-4-azaspiro[4.7]dodecane

C10H19NS — CID 66525255

IUPAC1-thia-4-azaspiro[4.7]dodecane
SMILESC1CCCC2(CCC1)NCCS2
InChIInChI=1S/C10H19NS/c1-2-4-6-10(7-5-3-1)11-8-9-12-10/h11H,1-9H2
InChIKeyAPPYMZIYIQTDDB-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.76
Rot. Bonds

About 1-thia-4-azaspiro[4.7]dodecane

1-thia-4-azaspiro[4.7]dodecane (PubChem CID 66525255) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1-thia-4-azaspiro[4.7]dodecane.

Molecular Properties

Compound Name1-thia-4-azaspiro[4.7]dodecane
PubChem CID66525255
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1-thia-4-azaspiro[4.7]dodecane
SMILESC1CCCC2(CCC1)NCCS2
InChIInChI=1S/C10H19NS/c1-2-4-6-10(7-5-3-1)11-8-9-12-10/h11H,1-9H2
InChIKeyAPPYMZIYIQTDDB-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thia-4-azaspiro[4.7]dodecane?
The IUPAC name of 1-thia-4-azaspiro[4.7]dodecane (CID 66525255) is 1-thia-4-azaspiro[4.7]dodecane.
What is the SMILES notation for 1-thia-4-azaspiro[4.7]dodecane?
The canonical SMILES for 1-thia-4-azaspiro[4.7]dodecane is C1CCCC2(CCC1)NCCS2.
What is the InChIKey of 1-thia-4-azaspiro[4.7]dodecane?
The InChIKey is APPYMZIYIQTDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-2-4-6-10(7-5-3-1)11-8-9-12-10/h11H,1-9H2.
What are the key properties of 1-thia-4-azaspiro[4.7]dodecane?
1-thia-4-azaspiro[4.7]dodecane has a molecular weight of 185.34 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thia-4-azaspiro[4.7]dodecane is sourced from PubChem (CID 66525255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).