5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C15H19N3O3S2 — CID 99629788

IUPAC5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=S(=O)(c1cnn(C2CCOCC2)c1)N1CCc2sccc2C1
InChIInChI=1S/C15H19N3O3S2/c19-23(20,17-5-1-15-12(10-17)4-8-22-15)14-9-16-18(11-14)13-2-6-21-7-3-13/h4,8-9,11,13H,1-3,5-7,10H2
InChIKeyIDSLYYWAEJACJJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.04
Rot. Bonds3

About 5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 99629788) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID99629788
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=S(=O)(c1cnn(C2CCOCC2)c1)N1CCc2sccc2C1
InChIInChI=1S/C15H19N3O3S2/c19-23(20,17-5-1-15-12(10-17)4-8-22-15)14-9-16-18(11-14)13-2-6-21-7-3-13/h4,8-9,11,13H,1-3,5-7,10H2
InChIKeyIDSLYYWAEJACJJ-UHFFFAOYSA-N
XLogP2.04
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine with MolForge

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Related Compounds

5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 55903519
[(3R,4S)-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-4-thiophen-3-ylpyrrolidin-3-yl]methanol
CID 129399726
7-chloro-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-2,3,4,5-tetrahydro-1-benzazepine
CID 131962818
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]-morpholin-4-ylmethanone
CID 46585758
5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 47138851
1-(oxan-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyrazole-4-sulfonamide
CID 99823190
4-[2-(4-chlorophenyl)pyrrolidin-1-yl]sulfonyl-1-(oxan-4-yl)pyrazole
CID 126776665
3,3-dimethyl-1-[1-(oxolan-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-amine
CID 120778866
2,2-dimethyl-1-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-3H-indole
CID 126825116
4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one
CID 31535145
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine
CID 43105459
5-[3-chloro-4-(chloromethyl)phenyl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 107090927

Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 99629788) is 5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is O=S(=O)(c1cnn(C2CCOCC2)c1)N1CCc2sccc2C1.
What is the InChIKey of 5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is IDSLYYWAEJACJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c19-23(20,17-5-1-15-12(10-17)4-8-22-15)14-9-16-18(11-14)13-2-6-21-7-3-13/h4,8-9,11,13H,1-3,5-7,10H2.
What are the key properties of 5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 353.47 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxan-4-yl)pyrazol-4-yl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 99629788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).