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

C7H12ClNS — CID 143552950

IUPAC2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine;hydrochloride
SMILESC1=C2SCCC2CNC1.Cl
InChIInChI=1S/C7H11NS.ClH/c1-3-8-5-6-2-4-9-7(1)6;/h1,6,8H,2-5H2;1H
InChIKeyDQNOPIJMUOLWIB-UHFFFAOYSA-N
MW177.70 g/mol
LogP1.65
Rot. Bonds

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

2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine;hydrochloride (PubChem CID 143552950) has the molecular formula C7H12ClNS and a molecular weight of 177.70 g/mol. Its IUPAC name is 2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine;hydrochloride
PubChem CID143552950
Molecular FormulaC7H12ClNS
Molecular Weight177.70 g/mol
Exact Mass177.04
IUPAC Name2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine;hydrochloride
SMILESC1=C2SCCC2CNC1.Cl
InChIInChI=1S/C7H11NS.ClH/c1-3-8-5-6-2-4-9-7(1)6;/h1,6,8H,2-5H2;1H
InChIKeyDQNOPIJMUOLWIB-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

2,3,3a,4,5,6-Hexahydrothieno[3,2-c]pyridine
CID 67415469
2-methyl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole
CID 67967752
2,3,3a,4,5,6-Hexahydrothieno[3,2-c]pyridine 1-oxide
CID 70407619
2,3,3a,4,5,6-Hexahydrothieno[3,2-b]pyridine
CID 89543629
2,4,5,6,7,7a-Hexahydrothieno[3,2-c]pyridine;hydrochloride
CID 141264950
3,3a,4,5-tetrahydro-2H-thieno[3,2-c]pyridine-6-thione
CID 142135788
2,3,3a,4,5,6-Hexahydrothieno[3,2-c]pyridine;hydrobromide
CID 144333436
2,3,3a,6,7,7a-Hexahydrothieno[2,3-b]pyridine
CID 163552001
N-ethyl-2-(thiolan-3-ylmethylidene)butan-1-amine
CID 107133848
N-propyl-2-(thiolan-3-ylmethylidene)butan-1-amine
CID 107133849
N-(2-methylpropyl)-2-(thiolan-3-ylmethylidene)butan-1-amine
CID 107133853
N-ethyl-3-methyl-2-(thiolan-3-ylmethylidene)butan-1-amine
CID 107133856

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine;hydrochloride?
The IUPAC name of 2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine;hydrochloride (CID 143552950) is 2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine;hydrochloride is C1=C2SCCC2CNC1.Cl.
What is the InChIKey of 2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine;hydrochloride?
The InChIKey is DQNOPIJMUOLWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS.ClH/c1-3-8-5-6-2-4-9-7(1)6;/h1,6,8H,2-5H2;1H.
What are the key properties of 2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine;hydrochloride?
2,3,3a,4,5,6-hexahydrothieno[3,2-c]pyridine;hydrochloride has a molecular weight of 177.70 g/mol, XLogP of 1.65, 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;hydrochloride is sourced from PubChem (CID 143552950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).