3,3-dimethyl-7-propan-2-yl-1-thia-4,7-diazaspiro[4.4]nonane

C11H22N2S — CID 80500770

IUPAC3,3-dimethyl-7-propan-2-yl-1-thia-4,7-diazaspiro[4.4]nonane
SMILESCC(C)N1CCC2(C1)NC(C)(C)CS2
InChIInChI=1S/C11H22N2S/c1-9(2)13-6-5-11(7-13)12-10(3,4)8-14-11/h9,12H,5-8H2,1-4H3
InChIKeyWOFGCDMWEBCVMR-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.91
Rot. Bonds1

About 3,3-dimethyl-7-propan-2-yl-1-thia-4,7-diazaspiro[4.4]nonane

3,3-dimethyl-7-propan-2-yl-1-thia-4,7-diazaspiro[4.4]nonane (PubChem CID 80500770) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 3,3-dimethyl-7-propan-2-yl-1-thia-4,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name3,3-dimethyl-7-propan-2-yl-1-thia-4,7-diazaspiro[4.4]nonane
PubChem CID80500770
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name3,3-dimethyl-7-propan-2-yl-1-thia-4,7-diazaspiro[4.4]nonane
SMILESCC(C)N1CCC2(C1)NC(C)(C)CS2
InChIInChI=1S/C11H22N2S/c1-9(2)13-6-5-11(7-13)12-10(3,4)8-14-11/h9,12H,5-8H2,1-4H3
InChIKeyWOFGCDMWEBCVMR-UHFFFAOYSA-N
XLogP1.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-7-propan-2-yl-1-thia-4,7-diazaspiro[4.4]nonane?
The IUPAC name of 3,3-dimethyl-7-propan-2-yl-1-thia-4,7-diazaspiro[4.4]nonane (CID 80500770) is 3,3-dimethyl-7-propan-2-yl-1-thia-4,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 3,3-dimethyl-7-propan-2-yl-1-thia-4,7-diazaspiro[4.4]nonane?
The canonical SMILES for 3,3-dimethyl-7-propan-2-yl-1-thia-4,7-diazaspiro[4.4]nonane is CC(C)N1CCC2(C1)NC(C)(C)CS2.
What is the InChIKey of 3,3-dimethyl-7-propan-2-yl-1-thia-4,7-diazaspiro[4.4]nonane?
The InChIKey is WOFGCDMWEBCVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9(2)13-6-5-11(7-13)12-10(3,4)8-14-11/h9,12H,5-8H2,1-4H3.
What are the key properties of 3,3-dimethyl-7-propan-2-yl-1-thia-4,7-diazaspiro[4.4]nonane?
3,3-dimethyl-7-propan-2-yl-1-thia-4,7-diazaspiro[4.4]nonane has a molecular weight of 214.38 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-7-propan-2-yl-1-thia-4,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 80500770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).