3-(3-chlorophenyl)sulfanylpiperidine-2,6-dione

C11H10ClNO2S — CID 142623410

IUPAC3-(3-chlorophenyl)sulfanylpiperidine-2,6-dione
SMILESO=C1CCC(Sc2cccc(Cl)c2)C(=O)N1
InChIInChI=1S/C11H10ClNO2S/c12-7-2-1-3-8(6-7)16-9-4-5-10(14)13-11(9)15/h1-3,6,9H,4-5H2,(H,13,14,15)
InChIKeyMQHWFPIJVZQIBJ-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.24
Rot. Bonds2

About 3-(3-chlorophenyl)sulfanylpiperidine-2,6-dione

3-(3-chlorophenyl)sulfanylpiperidine-2,6-dione (PubChem CID 142623410) has the molecular formula C11H10ClNO2S and a molecular weight of 255.73 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfanylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfanylpiperidine-2,6-dione
PubChem CID142623410
Molecular FormulaC11H10ClNO2S
Molecular Weight255.73 g/mol
Exact Mass255.01
IUPAC Name3-(3-chlorophenyl)sulfanylpiperidine-2,6-dione
SMILESO=C1CCC(Sc2cccc(Cl)c2)C(=O)N1
InChIInChI=1S/C11H10ClNO2S/c12-7-2-1-3-8(6-7)16-9-4-5-10(14)13-11(9)15/h1-3,6,9H,4-5H2,(H,13,14,15)
InChIKeyMQHWFPIJVZQIBJ-UHFFFAOYSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(Phenylsulfanylmethyl)piperidine-2,6-dione
CID 18762678
3-[(4-Chlorophenyl)sulfonylmethyl]piperidine-2,6-dione
CID 159430074
3-[(4-Chlorophenyl)sulfanylmethyl]piperidine-2,6-dione
CID 172458014
3-(4-Fluorophenyl)sulfanylpiperidine-2,6-dione
CID 91648396
3-(3,4-Difluorophenyl)sulfanylpiperidine-2,6-dione
CID 142623341
3-(2,5-Dichlorophenyl)sulfanylpiperidine-2,6-dione
CID 142623511
(3S)-3-phenylsulfanylpiperidine-2,6-dione
CID 177692741
(3R)-3-phenylsulfanylpiperidine-2,6-dione
CID 177692742
3-(4-Chlorophenyl)sulfanylpiperidine-2,6-dione
CID 142623393
3-(Phenylsulfanyl)piperidine-2,6-dione
CID 142623399
3-(2,4,5-Trichlorophenyl)sulfanylpiperidine-2,6-dione
CID 142623515
(3R)-3-(4-fluorophenyl)sulfanylpiperidine-2,6-dione
CID 99784231

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfanylpiperidine-2,6-dione?
The IUPAC name of 3-(3-chlorophenyl)sulfanylpiperidine-2,6-dione (CID 142623410) is 3-(3-chlorophenyl)sulfanylpiperidine-2,6-dione.
What is the SMILES notation for 3-(3-chlorophenyl)sulfanylpiperidine-2,6-dione?
The canonical SMILES for 3-(3-chlorophenyl)sulfanylpiperidine-2,6-dione is O=C1CCC(Sc2cccc(Cl)c2)C(=O)N1.
What is the InChIKey of 3-(3-chlorophenyl)sulfanylpiperidine-2,6-dione?
The InChIKey is MQHWFPIJVZQIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2S/c12-7-2-1-3-8(6-7)16-9-4-5-10(14)13-11(9)15/h1-3,6,9H,4-5H2,(H,13,14,15).
What are the key properties of 3-(3-chlorophenyl)sulfanylpiperidine-2,6-dione?
3-(3-chlorophenyl)sulfanylpiperidine-2,6-dione has a molecular weight of 255.73 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfanylpiperidine-2,6-dione is sourced from PubChem (CID 142623410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).