7-ethyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine

C9H11NOS — CID 142915858

IUPAC7-ethyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine
SMILESCCc1cc2c(cn1)OCCS2
InChIInChI=1S/C9H11NOS/c1-2-7-5-9-8(6-10-7)11-3-4-12-9/h5-6H,2-4H2,1H3
InChIKeyOGWDRMWCLOQHOG-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.13
Rot. Bonds1

About 7-ethyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine

7-ethyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine (PubChem CID 142915858) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 7-ethyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine.

Molecular Properties

Compound Name7-ethyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine
PubChem CID142915858
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name7-ethyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine
SMILESCCc1cc2c(cn1)OCCS2
InChIInChI=1S/C9H11NOS/c1-2-7-5-9-8(6-10-7)11-3-4-12-9/h5-6H,2-4H2,1H3
InChIKeyOGWDRMWCLOQHOG-UHFFFAOYSA-N
XLogP2.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine?
The IUPAC name of 7-ethyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine (CID 142915858) is 7-ethyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine.
What is the SMILES notation for 7-ethyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine?
The canonical SMILES for 7-ethyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine is CCc1cc2c(cn1)OCCS2.
What is the InChIKey of 7-ethyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine?
The InChIKey is OGWDRMWCLOQHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-2-7-5-9-8(6-10-7)11-3-4-12-9/h5-6H,2-4H2,1H3.
What are the key properties of 7-ethyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine?
7-ethyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine has a molecular weight of 181.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine is sourced from PubChem (CID 142915858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).