7-thia-12-azadispiro[2.0.54.33]dodecane

C10H17NS — CID 105440879

IUPAC7-thia-12-azadispiro[2.0.54.33]dodecane
SMILESC1CC2(CCSCC2)C2(CC2)N1
InChIInChI=1S/C10H17NS/c1-2-10(1)9(3-6-11-10)4-7-12-8-5-9/h11H,1-8H2
InChIKeyIZGMEVGEUCFRHW-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.03
Rot. Bonds

About 7-thia-12-azadispiro[2.0.54.33]dodecane

7-thia-12-azadispiro[2.0.54.33]dodecane (PubChem CID 105440879) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 7-thia-12-azadispiro[2.0.54.33]dodecane.

Molecular Properties

Compound Name7-thia-12-azadispiro[2.0.54.33]dodecane
PubChem CID105440879
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name7-thia-12-azadispiro[2.0.54.33]dodecane
SMILESC1CC2(CCSCC2)C2(CC2)N1
InChIInChI=1S/C10H17NS/c1-2-10(1)9(3-6-11-10)4-7-12-8-5-9/h11H,1-8H2
InChIKeyIZGMEVGEUCFRHW-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-thia-12-azadispiro[2.0.54.33]dodecane?
The IUPAC name of 7-thia-12-azadispiro[2.0.54.33]dodecane (CID 105440879) is 7-thia-12-azadispiro[2.0.54.33]dodecane.
What is the SMILES notation for 7-thia-12-azadispiro[2.0.54.33]dodecane?
The canonical SMILES for 7-thia-12-azadispiro[2.0.54.33]dodecane is C1CC2(CCSCC2)C2(CC2)N1.
What is the InChIKey of 7-thia-12-azadispiro[2.0.54.33]dodecane?
The InChIKey is IZGMEVGEUCFRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-2-10(1)9(3-6-11-10)4-7-12-8-5-9/h11H,1-8H2.
What are the key properties of 7-thia-12-azadispiro[2.0.54.33]dodecane?
7-thia-12-azadispiro[2.0.54.33]dodecane has a molecular weight of 183.32 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thia-12-azadispiro[2.0.54.33]dodecane is sourced from PubChem (CID 105440879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).