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

C11H16ClNO2S2 — CID 79580811

IUPAC5-(3-chloro-2-methylpropyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC(CCl)CS(=O)(=O)N1CCc2sccc2C1
InChIInChI=1S/C11H16ClNO2S2/c1-9(6-12)8-17(14,15)13-4-2-11-10(7-13)3-5-16-11/h3,5,9H,2,4,6-8H2,1H3
InChIKeyYNPTUDBRKCBSIF-UHFFFAOYSA-N
MW293.84 g/mol
LogP2.31
Rot. Bonds4

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

5-(3-chloro-2-methylpropyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 79580811) has the molecular formula C11H16ClNO2S2 and a molecular weight of 293.84 g/mol. Its IUPAC name is 5-(3-chloro-2-methylpropyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(3-chloro-2-methylpropyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID79580811
Molecular FormulaC11H16ClNO2S2
Molecular Weight293.84 g/mol
Exact Mass293.03
IUPAC Name5-(3-chloro-2-methylpropyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC(CCl)CS(=O)(=O)N1CCc2sccc2C1
InChIInChI=1S/C11H16ClNO2S2/c1-9(6-12)8-17(14,15)13-4-2-11-10(7-13)3-5-16-11/h3,5,9H,2,4,6-8H2,1H3
InChIKeyYNPTUDBRKCBSIF-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 52.31
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

5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63666976
3-(3-chloro-2-methylpropyl)sulfonyl-1,2,4,5-tetrahydro-3-benzazepine
CID 79585443
N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
CID 35321093
5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 56514315
5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 55903519
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine
CID 43105459
5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 30289320
5-[3-chloro-4-(chloromethyl)phenyl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 107090927
N-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-3-propan-2-yloxypropanamide
CID 56827655
1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole
CID 113249349
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

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylpropyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(3-chloro-2-methylpropyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 79580811) is 5-(3-chloro-2-methylpropyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(3-chloro-2-methylpropyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(3-chloro-2-methylpropyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC(CCl)CS(=O)(=O)N1CCc2sccc2C1.
What is the InChIKey of 5-(3-chloro-2-methylpropyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is YNPTUDBRKCBSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S2/c1-9(6-12)8-17(14,15)13-4-2-11-10(7-13)3-5-16-11/h3,5,9H,2,4,6-8H2,1H3.
What are the key properties of 5-(3-chloro-2-methylpropyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(3-chloro-2-methylpropyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 293.84 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylpropyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 79580811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).