2,3,3a,6,7,7a-hexahydrothieno[2,3-b]pyridine

C7H11NS — CID 163552001

IUPAC2,3,3a,6,7,7a-hexahydrothieno[2,3-b]pyridine
SMILESC1=CC2CCSC2NC1
InChIInChI=1S/C7H11NS/c1-2-6-3-5-9-7(6)8-4-1/h1-2,6-8H,3-5H2
InChIKeyFJWNDTNZPAPGMZ-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.23
Rot. Bonds

About 2,3,3a,6,7,7a-hexahydrothieno[2,3-b]pyridine

2,3,3a,6,7,7a-hexahydrothieno[2,3-b]pyridine (PubChem CID 163552001) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2,3,3a,6,7,7a-hexahydrothieno[2,3-b]pyridine.

Molecular Properties

Compound Name2,3,3a,6,7,7a-hexahydrothieno[2,3-b]pyridine
PubChem CID163552001
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2,3,3a,6,7,7a-hexahydrothieno[2,3-b]pyridine
SMILESC1=CC2CCSC2NC1
InChIInChI=1S/C7H11NS/c1-2-6-3-5-9-7(6)8-4-1/h1-2,6-8H,3-5H2
InChIKeyFJWNDTNZPAPGMZ-UHFFFAOYSA-N
XLogP1.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,3a,4,5,6-Hexahydrothieno[3,2-c]pyridine
CID 67415469
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
N-pentyl-2,3,3a,7a-tetrahydro-1-benzothiophen-2-amine
CID 91300174
N-ethyl-2,3,3a,7a-tetrahydro-1-benzothiophen-2-amine
CID 91360374
3-(2,3-Dihydrothiophen-3-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118549058
5,6,7,7a-Tetrahydrothieno[2,3-c]pyridine
CID 123181149
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;hydrochloride
CID 143552950
2,3,3a,4,5,6-Hexahydrothieno[3,2-c]pyridine;hydrobromide
CID 144333436
2,5-Dimethyl-2,3,3a,4,5,7a-hexahydro-1,3-benzothiazole
CID 155028433
2-Cyclohex-3-en-1-yl-1,3-thiazolidine
CID 20569648

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,6,7,7a-hexahydrothieno[2,3-b]pyridine?
The IUPAC name of 2,3,3a,6,7,7a-hexahydrothieno[2,3-b]pyridine (CID 163552001) is 2,3,3a,6,7,7a-hexahydrothieno[2,3-b]pyridine.
What is the SMILES notation for 2,3,3a,6,7,7a-hexahydrothieno[2,3-b]pyridine?
The canonical SMILES for 2,3,3a,6,7,7a-hexahydrothieno[2,3-b]pyridine is C1=CC2CCSC2NC1.
What is the InChIKey of 2,3,3a,6,7,7a-hexahydrothieno[2,3-b]pyridine?
The InChIKey is FJWNDTNZPAPGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-2-6-3-5-9-7(6)8-4-1/h1-2,6-8H,3-5H2.
What are the key properties of 2,3,3a,6,7,7a-hexahydrothieno[2,3-b]pyridine?
2,3,3a,6,7,7a-hexahydrothieno[2,3-b]pyridine has a molecular weight of 141.24 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,6,7,7a-hexahydrothieno[2,3-b]pyridine is sourced from PubChem (CID 163552001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).