methyl 5-thiophen-2-yl-4-thia-6-azaspiro[2.4]hept-5-ene-7-carboxylate

C11H11NO2S2 — CID 11086287

IUPACmethyl 5-thiophen-2-yl-4-thia-6-azaspiro[2.4]hept-5-ene-7-carboxylate
SMILESCOC(=O)C1N=C(c2cccs2)SC12CC2
InChIInChI=1S/C11H11NO2S2/c1-14-10(13)8-11(4-5-11)16-9(12-8)7-3-2-6-15-7/h2-3,6,8H,4-5H2,1H3
InChIKeyIJDXGHAESDZYND-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.32
Rot. Bonds2

About methyl 5-thiophen-2-yl-4-thia-6-azaspiro[2.4]hept-5-ene-7-carboxylate

methyl 5-thiophen-2-yl-4-thia-6-azaspiro[2.4]hept-5-ene-7-carboxylate (PubChem CID 11086287) has the molecular formula C11H11NO2S2 and a molecular weight of 253.35 g/mol. Its IUPAC name is methyl 5-thiophen-2-yl-4-thia-6-azaspiro[2.4]hept-5-ene-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-thiophen-2-yl-4-thia-6-azaspiro[2.4]hept-5-ene-7-carboxylate
PubChem CID11086287
Molecular FormulaC11H11NO2S2
Molecular Weight253.35 g/mol
Exact Mass253.02
IUPAC Namemethyl 5-thiophen-2-yl-4-thia-6-azaspiro[2.4]hept-5-ene-7-carboxylate
SMILESCOC(=O)C1N=C(c2cccs2)SC12CC2
InChIInChI=1S/C11H11NO2S2/c1-14-10(13)8-11(4-5-11)16-9(12-8)7-3-2-6-15-7/h2-3,6,8H,4-5H2,1H3
InChIKeyIJDXGHAESDZYND-UHFFFAOYSA-N
XLogP2.32
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-thiophen-2-yl-4-thia-6-azaspiro[2.4]hept-5-ene-7-carboxylate?
The IUPAC name of methyl 5-thiophen-2-yl-4-thia-6-azaspiro[2.4]hept-5-ene-7-carboxylate (CID 11086287) is methyl 5-thiophen-2-yl-4-thia-6-azaspiro[2.4]hept-5-ene-7-carboxylate.
What is the SMILES notation for methyl 5-thiophen-2-yl-4-thia-6-azaspiro[2.4]hept-5-ene-7-carboxylate?
The canonical SMILES for methyl 5-thiophen-2-yl-4-thia-6-azaspiro[2.4]hept-5-ene-7-carboxylate is COC(=O)C1N=C(c2cccs2)SC12CC2.
What is the InChIKey of methyl 5-thiophen-2-yl-4-thia-6-azaspiro[2.4]hept-5-ene-7-carboxylate?
The InChIKey is IJDXGHAESDZYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S2/c1-14-10(13)8-11(4-5-11)16-9(12-8)7-3-2-6-15-7/h2-3,6,8H,4-5H2,1H3.
What are the key properties of methyl 5-thiophen-2-yl-4-thia-6-azaspiro[2.4]hept-5-ene-7-carboxylate?
methyl 5-thiophen-2-yl-4-thia-6-azaspiro[2.4]hept-5-ene-7-carboxylate has a molecular weight of 253.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-thiophen-2-yl-4-thia-6-azaspiro[2.4]hept-5-ene-7-carboxylate is sourced from PubChem (CID 11086287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).