2-ethylimino-11-methyl-3-thia-1-azaspiro[5.5]undecane-10-thione

C12H20N2S2 — CID 137097371

IUPAC2-ethylimino-11-methyl-3-thia-1-azaspiro[5.5]undecane-10-thione
SMILESCC/N=C1/NC2(CCCC(=S)C2C)CCS1
InChIInChI=1S/C12H20N2S2/c1-3-13-11-14-12(7-8-16-11)6-4-5-10(15)9(12)2/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyZNEXXRAZQLECDT-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.02
Rot. Bonds1

About 2-ethylimino-11-methyl-3-thia-1-azaspiro[5.5]undecane-10-thione

2-ethylimino-11-methyl-3-thia-1-azaspiro[5.5]undecane-10-thione (PubChem CID 137097371) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 2-ethylimino-11-methyl-3-thia-1-azaspiro[5.5]undecane-10-thione.

Molecular Properties

Compound Name2-ethylimino-11-methyl-3-thia-1-azaspiro[5.5]undecane-10-thione
PubChem CID137097371
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name2-ethylimino-11-methyl-3-thia-1-azaspiro[5.5]undecane-10-thione
SMILESCC/N=C1/NC2(CCCC(=S)C2C)CCS1
InChIInChI=1S/C12H20N2S2/c1-3-13-11-14-12(7-8-16-11)6-4-5-10(15)9(12)2/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyZNEXXRAZQLECDT-UHFFFAOYSA-N
XLogP3.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylimino-11-methyl-3-thia-1-azaspiro[5.5]undecane-10-thione?
The IUPAC name of 2-ethylimino-11-methyl-3-thia-1-azaspiro[5.5]undecane-10-thione (CID 137097371) is 2-ethylimino-11-methyl-3-thia-1-azaspiro[5.5]undecane-10-thione.
What is the SMILES notation for 2-ethylimino-11-methyl-3-thia-1-azaspiro[5.5]undecane-10-thione?
The canonical SMILES for 2-ethylimino-11-methyl-3-thia-1-azaspiro[5.5]undecane-10-thione is CC/N=C1/NC2(CCCC(=S)C2C)CCS1.
What is the InChIKey of 2-ethylimino-11-methyl-3-thia-1-azaspiro[5.5]undecane-10-thione?
The InChIKey is ZNEXXRAZQLECDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-3-13-11-14-12(7-8-16-11)6-4-5-10(15)9(12)2/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-ethylimino-11-methyl-3-thia-1-azaspiro[5.5]undecane-10-thione?
2-ethylimino-11-methyl-3-thia-1-azaspiro[5.5]undecane-10-thione has a molecular weight of 256.44 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylimino-11-methyl-3-thia-1-azaspiro[5.5]undecane-10-thione is sourced from PubChem (CID 137097371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).