5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide;hydrochloride

C7H10ClNOS — CID 71433169

IUPAC5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide;hydrochloride
SMILESCl.O=S1C=CC2=CNCCC21
InChIInChI=1S/C7H9NOS.ClH/c9-10-4-2-6-5-8-3-1-7(6)10;/h2,4-5,7-8H,1,3H2;1H
InChIKeyRQKWUXUHNAFNBA-UHFFFAOYSA-N
MW191.68 g/mol
LogP0.93
Rot. Bonds

About 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide;hydrochloride

5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide;hydrochloride (PubChem CID 71433169) has the molecular formula C7H10ClNOS and a molecular weight of 191.68 g/mol. Its IUPAC name is 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide;hydrochloride.

Molecular Properties

Compound Name5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide;hydrochloride
PubChem CID71433169
Molecular FormulaC7H10ClNOS
Molecular Weight191.68 g/mol
Exact Mass191.02
IUPAC Name5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide;hydrochloride
SMILESCl.O=S1C=CC2=CNCCC21
InChIInChI=1S/C7H9NOS.ClH/c9-10-4-2-6-5-8-3-1-7(6)10;/h2,4-5,7-8H,1,3H2;1H
InChIKeyRQKWUXUHNAFNBA-UHFFFAOYSA-N
XLogP0.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.68
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine
CID 140555339
3,5,6,7-Tetrahydrothieno[3,4-c]pyridine
CID 173292254
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine;hydrochloride
CID 175793064
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine 1-oxide
CID 71433170

Frequently Asked Questions

What is the IUPAC name of 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide;hydrochloride?
The IUPAC name of 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide;hydrochloride (CID 71433169) is 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide;hydrochloride.
What is the SMILES notation for 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide;hydrochloride?
The canonical SMILES for 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide;hydrochloride is Cl.O=S1C=CC2=CNCCC21.
What is the InChIKey of 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide;hydrochloride?
The InChIKey is RQKWUXUHNAFNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS.ClH/c9-10-4-2-6-5-8-3-1-7(6)10;/h2,4-5,7-8H,1,3H2;1H.
What are the key properties of 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide;hydrochloride?
5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide;hydrochloride has a molecular weight of 191.68 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,7a-tetrahydrothieno[3,2-c]pyridine 1-oxide;hydrochloride is sourced from PubChem (CID 71433169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).