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

C10H14INS — CID 130634537

IUPAC5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESICCCN1CCc2sccc2C1
InChIInChI=1S/C10H14INS/c11-4-1-5-12-6-2-10-9(8-12)3-7-13-10/h3,7H,1-2,4-6,8H2
InChIKeyAHUPWZLJXCVEOR-UHFFFAOYSA-N
MW307.20 g/mol
LogP2.93
Rot. Bonds3

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

5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 130634537) has the molecular formula C10H14INS and a molecular weight of 307.20 g/mol. Its IUPAC name is 5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID130634537
Molecular FormulaC10H14INS
Molecular Weight307.20 g/mol
Exact Mass306.99
IUPAC Name5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESICCCN1CCc2sccc2C1
InChIInChI=1S/C10H14INS/c11-4-1-5-12-6-2-10-9(8-12)3-7-13-10/h3,7H,1-2,4-6,8H2
InChIKeyAHUPWZLJXCVEOR-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 52551128
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylpropan-1-amine
CID 61386149
5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylpentan-1-amine
CID 62437630
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
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine
CID 55069879
5-[2-(1,4-diazepan-1-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 55121504
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 130636672
7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 18137944
[1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]methanamine
CID 104678673
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride
CID 119862338

Frequently Asked Questions

What is the IUPAC name of 5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 130634537) is 5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is ICCCN1CCc2sccc2C1.
What is the InChIKey of 5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is AHUPWZLJXCVEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INS/c11-4-1-5-12-6-2-10-9(8-12)3-7-13-10/h3,7H,1-2,4-6,8H2.
What are the key properties of 5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 307.20 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 130634537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).