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

C9H12BrNO2S2 — CID 83085545

IUPAC5-(bromomethylsulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1S(=O)(=O)CBr
InChIInChI=1S/C9H12BrNO2S2/c1-7-8-3-5-14-9(8)2-4-11(7)15(12,13)6-10/h3,5,7H,2,4,6H2,1H3
InChIKeyCZBDINYFQOFGSX-UHFFFAOYSA-N
MW310.24 g/mol
LogP2.35
Rot. Bonds2

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

5-(bromomethylsulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 83085545) has the molecular formula C9H12BrNO2S2 and a molecular weight of 310.24 g/mol. Its IUPAC name is 5-(bromomethylsulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(bromomethylsulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID83085545
Molecular FormulaC9H12BrNO2S2
Molecular Weight310.24 g/mol
Exact Mass308.95
IUPAC Name5-(bromomethylsulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2ccsc2CCN1S(=O)(=O)CBr
InChIInChI=1S/C9H12BrNO2S2/c1-7-8-3-5-14-9(8)2-4-11(7)15(12,13)6-10/h3,5,7H,2,4,6H2,1H3
InChIKeyCZBDINYFQOFGSX-UHFFFAOYSA-N
XLogP2.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.35
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

4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]morpholine
CID 47141640
(4S)-5-(4-methoxyphenyl)sulfonyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 38259146
ethyl 4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]piperazine-1-carboxylate
CID 47060356
(4R)-5-(3,4-dimethoxyphenyl)sulfonyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 41187095
5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]furan-2-carboxylic acid
CID 61041596
N-methyl-5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]pyrimidin-2-amine
CID 62157440
4-fluoro-3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]aniline
CID 61127204
5-(2-chloroethylsulfonyl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 107651076
5-(methylsulfonylmethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 82839318
(4R)-5-tert-butyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 155312390
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide
CID 102555946
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentan-1-one
CID 62051657

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethylsulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(bromomethylsulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 83085545) is 5-(bromomethylsulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(bromomethylsulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(bromomethylsulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC1c2ccsc2CCN1S(=O)(=O)CBr.
What is the InChIKey of 5-(bromomethylsulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is CZBDINYFQOFGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S2/c1-7-8-3-5-14-9(8)2-4-11(7)15(12,13)6-10/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 5-(bromomethylsulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(bromomethylsulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 310.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethylsulfonyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 83085545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).