5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine

C10H17NS — CID 90978333

IUPAC5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine
SMILESCCCN1C=CC2CSCC2C1
InChIInChI=1S/C10H17NS/c1-2-4-11-5-3-9-7-12-8-10(9)6-11/h3,5,9-10H,2,4,6-8H2,1H3
InChIKeyXPCXJYSYHPCGPF-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.20
Rot. Bonds2

About 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine

5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine (PubChem CID 90978333) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine.

Molecular Properties

Compound Name5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine
PubChem CID90978333
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine
SMILESCCCN1C=CC2CSCC2C1
InChIInChI=1S/C10H17NS/c1-2-4-11-5-3-9-7-12-8-10(9)6-11/h3,5,9-10H,2,4,6-8H2,1H3
InChIKeyXPCXJYSYHPCGPF-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-(thiolan-3-yl)ethenyl]pyrrolidine
CID 59265935
1-[(Z)-2-(thiolan-3-yl)ethenyl]pyrrolidine
CID 59403138
5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine-1,3-diamine
CID 69035868
1-[2-(Thiolan-3-yl)ethenyl]pyrrolidine
CID 72265198
1,4-dimethyl-3-propylsulfanyl-3,4-dihydro-2H-pyridine
CID 123161019
6-Methyl-3a,7a-dihydrothieno[2,3-c]pyridine-7-thione
CID 155402952

Frequently Asked Questions

What is the IUPAC name of 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine?
The IUPAC name of 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine (CID 90978333) is 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine.
What is the SMILES notation for 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine?
The canonical SMILES for 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine is CCCN1C=CC2CSCC2C1.
What is the InChIKey of 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine?
The InChIKey is XPCXJYSYHPCGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-2-4-11-5-3-9-7-12-8-10(9)6-11/h3,5,9-10H,2,4,6-8H2,1H3.
What are the key properties of 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine?
5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine has a molecular weight of 183.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3,3a,4,7a-tetrahydro-1H-thieno[3,4-c]pyridine is sourced from PubChem (CID 90978333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).