5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

C13H20N2O2S2 — CID 30289320

IUPAC5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=S(=O)(N1CCCCCC1)N1CCc2sccc2C1
InChIInChI=1S/C13H20N2O2S2/c16-19(17,14-7-3-1-2-4-8-14)15-9-5-13-12(11-15)6-10-18-13/h6,10H,1-5,7-9,11H2
InChIKeyHROVVCSHDUZPQV-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.23
Rot. Bonds2

About 5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 30289320) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID30289320
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=S(=O)(N1CCCCCC1)N1CCc2sccc2C1
InChIInChI=1S/C13H20N2O2S2/c16-19(17,14-7-3-1-2-4-8-14)15-9-5-13-12(11-15)6-10-18-13/h6,10H,1-5,7-9,11H2
InChIKeyHROVVCSHDUZPQV-UHFFFAOYSA-N
XLogP2.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
CID 35321093
5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63666976
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine
CID 43105459
5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 55903519
5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 47138851
5-(4-fluoro-2,6-dimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 107326446
5-(3-chloro-2-methylpropyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79580811
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline
CID 62149886
5-(3,4-dihydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 16604937
methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)cyclopentane-1-carboxylate
CID 103342136
5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 56514315
3-bromo-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)aniline
CID 43255751

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 30289320) is 5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is O=S(=O)(N1CCCCCC1)N1CCc2sccc2C1.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is HROVVCSHDUZPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c16-19(17,14-7-3-1-2-4-8-14)15-9-5-13-12(11-15)6-10-18-13/h6,10H,1-5,7-9,11H2.
What are the key properties of 5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 300.45 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 30289320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).