5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

C16H19NS — CID 52551128

IUPAC5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1ccc(CCCN2CCc3sccc3C2)cc1
InChIInChI=1S/C16H19NS/c1-2-5-14(6-3-1)7-4-10-17-11-8-16-15(13-17)9-12-18-16/h1-3,5-6,9,12H,4,7-8,10-11,13H2
InChIKeyTUXMHMHNSPNROC-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.74
Rot. Bonds4

About 5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 52551128) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID52551128
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1ccc(CCCN2CCc3sccc3C2)cc1
InChIInChI=1S/C16H19NS/c1-2-5-14(6-3-1)7-4-10-17-11-8-16-15(13-17)9-12-18-16/h1-3,5-6,9,12H,4,7-8,10-11,13H2
InChIKeyTUXMHMHNSPNROC-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 130634537
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-phenylpropyl)piperidin-4-yl]methanone
CID 171995878
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111136347
5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylpentan-1-amine
CID 62437630
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylpropan-1-amine
CID 61386149
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)hexan-2-amine
CID 82853174
5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-phenylpropan-2-one
CID 62023515
2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethoxy]phenyl]ethanamine
CID 43530849
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine
CID 55069879
ethane;5-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline
CID 143140384
N-(benzylcarbamoyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 24674437

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 52551128) is 5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is c1ccc(CCCN2CCc3sccc3C2)cc1.
What is the InChIKey of 5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is TUXMHMHNSPNROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-2-5-14(6-3-1)7-4-10-17-11-8-16-15(13-17)9-12-18-16/h1-3,5-6,9,12H,4,7-8,10-11,13H2.
What are the key properties of 5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 257.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 52551128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).