3,4-di(ethylidene)-8-thia-2-azaspiro[4.5]dec-1-ene

C12H17NS — CID 90696250

IUPAC3,4-di(ethylidene)-8-thia-2-azaspiro[4.5]dec-1-ene
SMILESCC=C1N=CC2(CCSCC2)C1=CC
InChIInChI=1S/C12H17NS/c1-3-10-11(4-2)13-9-12(10)5-7-14-8-6-12/h3-4,9H,5-8H2,1-2H3
InChIKeyDXDQZYRVZJQKSM-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.43
Rot. Bonds

About 3,4-di(ethylidene)-8-thia-2-azaspiro[4.5]dec-1-ene

3,4-di(ethylidene)-8-thia-2-azaspiro[4.5]dec-1-ene (PubChem CID 90696250) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 3,4-di(ethylidene)-8-thia-2-azaspiro[4.5]dec-1-ene.

Molecular Properties

Compound Name3,4-di(ethylidene)-8-thia-2-azaspiro[4.5]dec-1-ene
PubChem CID90696250
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name3,4-di(ethylidene)-8-thia-2-azaspiro[4.5]dec-1-ene
SMILESCC=C1N=CC2(CCSCC2)C1=CC
InChIInChI=1S/C12H17NS/c1-3-10-11(4-2)13-9-12(10)5-7-14-8-6-12/h3-4,9H,5-8H2,1-2H3
InChIKeyDXDQZYRVZJQKSM-UHFFFAOYSA-N
XLogP3.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethylsulfanylcyclohexa-1,3-dien-1-yl)ethenyl]-2-methylprop-2-en-1-imine
CID 145351625

Frequently Asked Questions

What is the IUPAC name of 3,4-di(ethylidene)-8-thia-2-azaspiro[4.5]dec-1-ene?
The IUPAC name of 3,4-di(ethylidene)-8-thia-2-azaspiro[4.5]dec-1-ene (CID 90696250) is 3,4-di(ethylidene)-8-thia-2-azaspiro[4.5]dec-1-ene.
What is the SMILES notation for 3,4-di(ethylidene)-8-thia-2-azaspiro[4.5]dec-1-ene?
The canonical SMILES for 3,4-di(ethylidene)-8-thia-2-azaspiro[4.5]dec-1-ene is CC=C1N=CC2(CCSCC2)C1=CC.
What is the InChIKey of 3,4-di(ethylidene)-8-thia-2-azaspiro[4.5]dec-1-ene?
The InChIKey is DXDQZYRVZJQKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-3-10-11(4-2)13-9-12(10)5-7-14-8-6-12/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 3,4-di(ethylidene)-8-thia-2-azaspiro[4.5]dec-1-ene?
3,4-di(ethylidene)-8-thia-2-azaspiro[4.5]dec-1-ene has a molecular weight of 207.34 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(ethylidene)-8-thia-2-azaspiro[4.5]dec-1-ene is sourced from PubChem (CID 90696250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).