5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C16H18ClNO2S — CID 88573353

IUPAC5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOOC[C@H](c1ccccc1Cl)N1CCc2sccc2C1
InChIInChI=1S/C16H18ClNO2S/c1-19-20-11-15(13-4-2-3-5-14(13)17)18-8-6-16-12(10-18)7-9-21-16/h2-5,7,9,15H,6,8,10-11H2,1H3/t15-/m1/s1
InChIKeyNIOPVWUYFAXLJI-OAHLLOKOSA-N
MW323.85 g/mol
LogP4.08
Rot. Bonds5

About 5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 88573353) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID88573353
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCOOC[C@H](c1ccccc1Cl)N1CCc2sccc2C1
InChIInChI=1S/C16H18ClNO2S/c1-19-20-11-15(13-4-2-3-5-14(13)17)18-8-6-16-12(10-18)7-9-21-16/h2-5,7,9,15H,6,8,10-11H2,1H3/t15-/m1/s1
InChIKeyNIOPVWUYFAXLJI-OAHLLOKOSA-N
XLogP4.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-ol
CID 56971148
5-[(1R)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 59078186
[2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl] acetate
CID 46190226
ethyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 71124360
methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;propan-2-one
CID 69368303
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;methyl acetate
CID 68877762
(1R)-1-(2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-one
CID 59985948
deuteriomethyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 141350312
ethoxyethane;methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 174665501
[(2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl] (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 87956878
8-(2-chlorophenyl)-8-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyloctanoic acid
CID 56971386
2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;hydrochloride
CID 23106048

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 88573353) is 5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is COOC[C@H](c1ccccc1Cl)N1CCc2sccc2C1.
What is the InChIKey of 5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is NIOPVWUYFAXLJI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-19-20-11-15(13-4-2-3-5-14(13)17)18-8-6-16-12(10-18)7-9-21-16/h2-5,7,9,15H,6,8,10-11H2,1H3/t15-/m1/s1.
What are the key properties of 5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 323.85 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(2-chlorophenyl)-2-methylperoxyethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 88573353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).