2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;hydrochloride

C7H12ClNS — CID 141264950

IUPAC2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;hydrochloride
SMILESC1=C2CNCCC2SC1.Cl
InChIInChI=1S/C7H11NS.ClH/c1-3-8-5-6-2-4-9-7(1)6;/h2,7-8H,1,3-5H2;1H
InChIKeyUFALTADDCAAPTE-UHFFFAOYSA-N
MW177.70 g/mol
LogP1.44
Rot. Bonds

About 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;hydrochloride

2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;hydrochloride (PubChem CID 141264950) has the molecular formula C7H12ClNS and a molecular weight of 177.70 g/mol. Its IUPAC name is 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;hydrochloride
PubChem CID141264950
Molecular FormulaC7H12ClNS
Molecular Weight177.70 g/mol
Exact Mass177.04
IUPAC Name2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;hydrochloride
SMILESC1=C2CNCCC2SC1.Cl
InChIInChI=1S/C7H11NS.ClH/c1-3-8-5-6-2-4-9-7(1)6;/h2,7-8H,1,3-5H2;1H
InChIKeyUFALTADDCAAPTE-UHFFFAOYSA-N
XLogP1.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.70
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;hydrochloride with MolForge

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Related Compounds

2H,4H,5H,6H,7H,7aH-thieno[3,2-c]pyridin-2-one hydrochloride
CID 23435874
5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one
CID 13748463
2,4,5,6,7,7a-Hexahydrothieno[3,2-c]pyridine
CID 56638485
5,6,7,7a-tetrahydro-4H-thieno[2,3-b]pyridin-2-one
CID 67209126
2,4,5,6,7,7a-Hexahydrothieno[3,2-c]pyridine 1-oxide
CID 68497047
2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine
CID 129089016
2-Chloro-2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine
CID 142749571
2,3,3a,4,5,6-Hexahydrothieno[3,2-c]pyridine;hydrochloride
CID 143552950
2,4,5,6,7,7a-Hexahydrothieno[3,2-c]pyridine;ethane
CID 144913842
5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-ylidenemethanone
CID 175958536
(7aR)-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one
CID 29987372
(7aS)-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-one
CID 29987375

Frequently Asked Questions

What is the IUPAC name of 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;hydrochloride?
The IUPAC name of 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;hydrochloride (CID 141264950) is 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;hydrochloride is C1=C2CNCCC2SC1.Cl.
What is the InChIKey of 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;hydrochloride?
The InChIKey is UFALTADDCAAPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS.ClH/c1-3-8-5-6-2-4-9-7(1)6;/h2,7-8H,1,3-5H2;1H.
What are the key properties of 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;hydrochloride?
2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;hydrochloride has a molecular weight of 177.70 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 141264950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).