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

C8H9NOS — CID 89029377

IUPAC7-methyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine
SMILESCc1cc2c(cn1)OCCS2
InChIInChI=1S/C8H9NOS/c1-6-4-8-7(5-9-6)10-2-3-11-8/h4-5H,2-3H2,1H3
InChIKeySZXKLFDAKDMMBZ-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.87
Rot. Bonds

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

7-methyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine (PubChem CID 89029377) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 7-methyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine.

Molecular Properties

Compound Name7-methyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine
PubChem CID89029377
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name7-methyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine
SMILESCc1cc2c(cn1)OCCS2
InChIInChI=1S/C8H9NOS/c1-6-4-8-7(5-9-6)10-2-3-11-8/h4-5H,2-3H2,1H3
InChIKeySZXKLFDAKDMMBZ-UHFFFAOYSA-N
XLogP1.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine?
The IUPAC name of 7-methyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine (CID 89029377) is 7-methyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine.
What is the SMILES notation for 7-methyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine?
The canonical SMILES for 7-methyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine is Cc1cc2c(cn1)OCCS2.
What is the InChIKey of 7-methyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine?
The InChIKey is SZXKLFDAKDMMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-6-4-8-7(5-9-6)10-2-3-11-8/h4-5H,2-3H2,1H3.
What are the key properties of 7-methyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine?
7-methyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine has a molecular weight of 167.23 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3-dihydro-[1,4]oxathiino[2,3-c]pyridine is sourced from PubChem (CID 89029377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).