2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine 1-oxide

C7H11NOS — CID 70407619

IUPAC2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine 1-oxide
SMILESO=S1CCC2CNCC=C21
InChIInChI=1S/C7H11NOS/c9-10-4-2-6-5-8-3-1-7(6)10/h1,6,8H,2-5H2
InChIKeyIKBUJZSOUNJYAY-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.24
Rot. Bonds

About 2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine 1-oxide

2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine 1-oxide (PubChem CID 70407619) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine 1-oxide.

Molecular Properties

Compound Name2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine 1-oxide
PubChem CID70407619
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine 1-oxide
SMILESO=S1CCC2CNCC=C21
InChIInChI=1S/C7H11NOS/c9-10-4-2-6-5-8-3-1-7(6)10/h1,6,8H,2-5H2
InChIKeyIKBUJZSOUNJYAY-UHFFFAOYSA-N
XLogP0.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine 1-oxide?
The IUPAC name of 2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine 1-oxide (CID 70407619) is 2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine 1-oxide.
What is the SMILES notation for 2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine 1-oxide?
The canonical SMILES for 2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine 1-oxide is O=S1CCC2CNCC=C21.
What is the InChIKey of 2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine 1-oxide?
The InChIKey is IKBUJZSOUNJYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c9-10-4-2-6-5-8-3-1-7(6)10/h1,6,8H,2-5H2.
What are the key properties of 2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine 1-oxide?
2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine 1-oxide has a molecular weight of 157.24 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine 1-oxide is sourced from PubChem (CID 70407619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).