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

C8H10ClNO2S2 — CID 63666976

IUPAC5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=S(=O)(CCl)N1CCc2sccc2C1
InChIInChI=1S/C8H10ClNO2S2/c9-6-14(11,12)10-3-1-8-7(5-10)2-4-13-8/h2,4H,1,3,5-6H2
InChIKeyXUWRHQISBHWWKQ-UHFFFAOYSA-N
MW251.76 g/mol
LogP1.63
Rot. Bonds2

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

5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 63666976) has the molecular formula C8H10ClNO2S2 and a molecular weight of 251.76 g/mol. Its IUPAC name is 5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID63666976
Molecular FormulaC8H10ClNO2S2
Molecular Weight251.76 g/mol
Exact Mass250.98
IUPAC Name5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=S(=O)(CCl)N1CCc2sccc2C1
InChIInChI=1S/C8H10ClNO2S2/c9-6-14(11,12)10-3-1-8-7(5-10)2-4-13-8/h2,4H,1,3,5-6H2
InChIKeyXUWRHQISBHWWKQ-UHFFFAOYSA-N
XLogP1.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-chloro-2-methylpropyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79580811
5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 56514315
5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 30289320
N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
CID 35321093
5-[3-chloro-4-(chloromethyl)phenyl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 107090927
5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 55903519
2-(chloromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 63665780
5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 47138851
2-(chloromethylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 55246587
5-(4-fluoro-2,6-dimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 107326446
5-(2-chloroprop-2-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 130636672
5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide
CID 60568052

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 63666976) is 5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is O=S(=O)(CCl)N1CCc2sccc2C1.
What is the InChIKey of 5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is XUWRHQISBHWWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S2/c9-6-14(11,12)10-3-1-8-7(5-10)2-4-13-8/h2,4H,1,3,5-6H2.
What are the key properties of 5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 251.76 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 63666976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).