4-ethyl-4-methyl-3-thia-7,11-diazaspiro[5.6]dodecane

C12H24N2S — CID 13145806

IUPAC4-ethyl-4-methyl-3-thia-7,11-diazaspiro[5.6]dodecane
SMILESCCC1(C)CC2(CCS1)CNCCCN2
InChIInChI=1S/C12H24N2S/c1-3-11(2)9-12(5-8-15-11)10-13-6-4-7-14-12/h13-14H,3-10H2,1-2H3
InChIKeyMXXITJMAPTZFCE-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.00
Rot. Bonds1

About 4-ethyl-4-methyl-3-thia-7,11-diazaspiro[5.6]dodecane

4-ethyl-4-methyl-3-thia-7,11-diazaspiro[5.6]dodecane (PubChem CID 13145806) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 4-ethyl-4-methyl-3-thia-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name4-ethyl-4-methyl-3-thia-7,11-diazaspiro[5.6]dodecane
PubChem CID13145806
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name4-ethyl-4-methyl-3-thia-7,11-diazaspiro[5.6]dodecane
SMILESCCC1(C)CC2(CCS1)CNCCCN2
InChIInChI=1S/C12H24N2S/c1-3-11(2)9-12(5-8-15-11)10-13-6-4-7-14-12/h13-14H,3-10H2,1-2H3
InChIKeyMXXITJMAPTZFCE-UHFFFAOYSA-N
XLogP2.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-3-thia-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 4-ethyl-4-methyl-3-thia-7,11-diazaspiro[5.6]dodecane (CID 13145806) is 4-ethyl-4-methyl-3-thia-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 4-ethyl-4-methyl-3-thia-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 4-ethyl-4-methyl-3-thia-7,11-diazaspiro[5.6]dodecane is CCC1(C)CC2(CCS1)CNCCCN2.
What is the InChIKey of 4-ethyl-4-methyl-3-thia-7,11-diazaspiro[5.6]dodecane?
The InChIKey is MXXITJMAPTZFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-3-11(2)9-12(5-8-15-11)10-13-6-4-7-14-12/h13-14H,3-10H2,1-2H3.
What are the key properties of 4-ethyl-4-methyl-3-thia-7,11-diazaspiro[5.6]dodecane?
4-ethyl-4-methyl-3-thia-7,11-diazaspiro[5.6]dodecane has a molecular weight of 228.40 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-3-thia-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 13145806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).