ethyl 1-pyridin-2-ylsulfinylcyclopropane-1-carboxylate

C11H13NO3S — CID 166636926

IUPACethyl 1-pyridin-2-ylsulfinylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1(S(=O)c2ccccn2)CC1
InChIInChI=1S/C11H13NO3S/c1-2-15-10(13)11(6-7-11)16(14)9-5-3-4-8-12-9/h3-5,8H,2,6-7H2,1H3
InChIKeyGKIYFFORLXPNTL-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.28
Rot. Bonds4

About ethyl 1-pyridin-2-ylsulfinylcyclopropane-1-carboxylate

ethyl 1-pyridin-2-ylsulfinylcyclopropane-1-carboxylate (PubChem CID 166636926) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is ethyl 1-pyridin-2-ylsulfinylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-pyridin-2-ylsulfinylcyclopropane-1-carboxylate
PubChem CID166636926
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Nameethyl 1-pyridin-2-ylsulfinylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1(S(=O)c2ccccn2)CC1
InChIInChI=1S/C11H13NO3S/c1-2-15-10(13)11(6-7-11)16(14)9-5-3-4-8-12-9/h3-5,8H,2,6-7H2,1H3
InChIKeyGKIYFFORLXPNTL-UHFFFAOYSA-N
XLogP1.28
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-pyridin-2-ylsulfinylcyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-pyridin-2-ylsulfinylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-pyridin-2-ylsulfinylcyclopropane-1-carboxylate (CID 166636926) is ethyl 1-pyridin-2-ylsulfinylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-pyridin-2-ylsulfinylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-pyridin-2-ylsulfinylcyclopropane-1-carboxylate is CCOC(=O)C1(S(=O)c2ccccn2)CC1.
What is the InChIKey of ethyl 1-pyridin-2-ylsulfinylcyclopropane-1-carboxylate?
The InChIKey is GKIYFFORLXPNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-2-15-10(13)11(6-7-11)16(14)9-5-3-4-8-12-9/h3-5,8H,2,6-7H2,1H3.
What are the key properties of ethyl 1-pyridin-2-ylsulfinylcyclopropane-1-carboxylate?
ethyl 1-pyridin-2-ylsulfinylcyclopropane-1-carboxylate has a molecular weight of 239.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-pyridin-2-ylsulfinylcyclopropane-1-carboxylate is sourced from PubChem (CID 166636926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).