4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane

C11H22N2S — CID 164646754

IUPAC4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane
SMILESCC1CCSC2(CCNC(C)(C)C2)N1
InChIInChI=1S/C11H22N2S/c1-9-4-7-14-11(13-9)5-6-12-10(2,3)8-11/h9,12-13H,4-8H2,1-3H3
InChIKeyQPUCSDODIYDKSW-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.96
Rot. Bonds

About 4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane

4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane (PubChem CID 164646754) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane
PubChem CID164646754
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane
SMILESCC1CCSC2(CCNC(C)(C)C2)N1
InChIInChI=1S/C11H22N2S/c1-9-4-7-14-11(13-9)5-6-12-10(2,3)8-11/h9,12-13H,4-8H2,1-3H3
InChIKeyQPUCSDODIYDKSW-UHFFFAOYSA-N
XLogP1.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane?
The IUPAC name of 4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane (CID 164646754) is 4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane is CC1CCSC2(CCNC(C)(C)C2)N1.
What is the InChIKey of 4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane?
The InChIKey is QPUCSDODIYDKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9-4-7-14-11(13-9)5-6-12-10(2,3)8-11/h9,12-13H,4-8H2,1-3H3.
What are the key properties of 4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane?
4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane has a molecular weight of 214.38 g/mol, XLogP of 1.96, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 164646754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).