5-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C18H22N2O2S2 — CID 121154569

IUPAC5-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1ccc(C)c(S(=O)(=O)N2CC(N3CCc4sccc4C3)C2)c1
InChIInChI=1S/C18H22N2O2S2/c1-13-3-4-14(2)18(9-13)24(21,22)20-11-16(12-20)19-7-5-17-15(10-19)6-8-23-17/h3-4,6,8-9,16H,5,7,10-12H2,1-2H3
InChIKeyIGNYDNWOGOCZTK-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.80
Rot. Bonds3

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

5-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 121154569) has the molecular formula C18H22N2O2S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 5-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID121154569
Molecular FormulaC18H22N2O2S2
Molecular Weight362.52 g/mol
Exact Mass362.11
IUPAC Name5-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCc1ccc(C)c(S(=O)(=O)N2CC(N3CCc4sccc4C3)C2)c1
InChIInChI=1S/C18H22N2O2S2/c1-13-3-4-14(2)18(9-13)24(21,22)20-11-16(12-20)19-7-5-17-15(10-19)6-8-23-17/h3-4,6,8-9,16H,5,7,10-12H2,1-2H3
InChIKeyIGNYDNWOGOCZTK-UHFFFAOYSA-N
XLogP2.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-(1-thiophen-2-ylsulfonylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 121154557
(3S,4R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine-3,4-diol
CID 71683265
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2,5-dimethylbenzenesulfonamide
CID 86915821
(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510214
(2R,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510211
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylazetidine-1-carboxamide
CID 121154512
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentan-1-one
CID 79642921
5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 47138851
1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522191
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide
CID 121154530
2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 121153679
4-(2,5-dimethylphenyl)sulfonyl-1,4-diazepan-2-one
CID 62896508

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 121154569) is 5-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is Cc1ccc(C)c(S(=O)(=O)N2CC(N3CCc4sccc4C3)C2)c1.
What is the InChIKey of 5-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is IGNYDNWOGOCZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S2/c1-13-3-4-14(2)18(9-13)24(21,22)20-11-16(12-20)19-7-5-17-15(10-19)6-8-23-17/h3-4,6,8-9,16H,5,7,10-12H2,1-2H3.
What are the key properties of 5-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 362.52 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 121154569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).