11-(2-methylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione

C13H22N2O2S — CID 64971605

IUPAC11-(2-methylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
SMILESCSCCN1CCC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C13H22N2O2S/c1-18-10-9-15-8-5-11(16)14-13(12(15)17)6-3-2-4-7-13/h2-10H2,1H3,(H,14,16)
InChIKeyVXWRGNCUSJPQBE-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.40
Rot. Bonds3

About 11-(2-methylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione

11-(2-methylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione (PubChem CID 64971605) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 11-(2-methylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione.

Molecular Properties

Compound Name11-(2-methylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
PubChem CID64971605
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name11-(2-methylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
SMILESCSCCN1CCC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C13H22N2O2S/c1-18-10-9-15-8-5-11(16)14-13(12(15)17)6-3-2-4-7-13/h2-10H2,1H3,(H,14,16)
InChIKeyVXWRGNCUSJPQBE-UHFFFAOYSA-N
XLogP1.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-(2-methylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The IUPAC name of 11-(2-methylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione (CID 64971605) is 11-(2-methylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione.
What is the SMILES notation for 11-(2-methylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The canonical SMILES for 11-(2-methylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione is CSCCN1CCC(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 11-(2-methylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
The InChIKey is VXWRGNCUSJPQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-18-10-9-15-8-5-11(16)14-13(12(15)17)6-3-2-4-7-13/h2-10H2,1H3,(H,14,16).
What are the key properties of 11-(2-methylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione?
11-(2-methylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione has a molecular weight of 270.40 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methylsulfanylethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione is sourced from PubChem (CID 64971605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).