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

C15H17NO4S3 — CID 55903519

IUPAC5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3sccc3C2)cc1
InChIInChI=1S/C15H17NO4S3/c1-2-22(17,18)13-3-5-14(6-4-13)23(19,20)16-9-7-15-12(11-16)8-10-21-15/h3-6,8,10H,2,7,9,11H2,1H3
InChIKeyKDMOHPLUDGHDQA-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.29
Rot. Bonds4

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

5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 55903519) has the molecular formula C15H17NO4S3 and a molecular weight of 371.51 g/mol. Its IUPAC name is 5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID55903519
Molecular FormulaC15H17NO4S3
Molecular Weight371.51 g/mol
Exact Mass371.03
IUPAC Name5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3sccc3C2)cc1
InChIInChI=1S/C15H17NO4S3/c1-2-22(17,18)13-3-5-14(6-4-13)23(19,20)16-9-7-15-12(11-16)8-10-21-15/h3-6,8,10H,2,7,9,11H2,1H3
InChIKeyKDMOHPLUDGHDQA-UHFFFAOYSA-N
XLogP2.29
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine
CID 43105459
5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 47138851
5-[3-chloro-4-(chloromethyl)phenyl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 107090927
5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63666976
N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
CID 35321093
methyl 2-bromo-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoate
CID 55922970
5-(4-fluoro-2,6-dimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 107326446
4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one
CID 31535145
3-chloro-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-1H-pyridin-2-one
CID 64607284
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylaniline
CID 62149886
5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 30289320
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102750926

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 55903519) is 5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3sccc3C2)cc1.
What is the InChIKey of 5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is KDMOHPLUDGHDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S3/c1-2-22(17,18)13-3-5-14(6-4-13)23(19,20)16-9-7-15-12(11-16)8-10-21-15/h3-6,8,10H,2,7,9,11H2,1H3.
What are the key properties of 5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 371.51 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 55903519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).