[2-(3,5-dichlorophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methanone

C14H15Cl2NO3S — CID 167935649

IUPAC[2-(3,5-dichlorophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methanone
SMILESCC1CCS(=O)(=O)N1C(=O)C1CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H15Cl2NO3S/c1-8-2-3-21(19,20)17(8)14(18)13-7-12(13)9-4-10(15)6-11(16)5-9/h4-6,8,12-13H,2-3,7H2,1H3
InChIKeyFPLPRBMUDKKFOA-UHFFFAOYSA-N
MW348.25 g/mol
LogP3.05
Rot. Bonds2

About [2-(3,5-dichlorophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methanone

[2-(3,5-dichlorophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methanone (PubChem CID 167935649) has the molecular formula C14H15Cl2NO3S and a molecular weight of 348.25 g/mol. Its IUPAC name is [2-(3,5-dichlorophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-dichlorophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methanone
PubChem CID167935649
Molecular FormulaC14H15Cl2NO3S
Molecular Weight348.25 g/mol
Exact Mass347.01
IUPAC Name[2-(3,5-dichlorophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methanone
SMILESCC1CCS(=O)(=O)N1C(=O)C1CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H15Cl2NO3S/c1-8-2-3-21(19,20)17(8)14(18)13-7-12(13)9-4-10(15)6-11(16)5-9/h4-6,8,12-13H,2-3,7H2,1H3
InChIKeyFPLPRBMUDKKFOA-UHFFFAOYSA-N
XLogP3.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(3,5-dichlorophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methanone with MolForge

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Related Compounds

1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone
CID 93304641
1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113476
(3R)-1-[(1S,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-3-methylpiperidin-4-one
CID 124730027
methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate
CID 174888993
(3R)-1-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 125134395
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone
CID 124865626
1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118126
2-chloro-1-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone;methane
CID 158411991
1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-2-carboxamide
CID 75373592
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(3,5-dichlorophenyl)cyclopropyl]methanone
CID 119635392
[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,5-dichlorophenyl)cyclopropyl]methanone;hydrochloride
CID 119434819
[2-(3,5-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395248

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichlorophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methanone?
The IUPAC name of [2-(3,5-dichlorophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methanone (CID 167935649) is [2-(3,5-dichlorophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methanone.
What is the SMILES notation for [2-(3,5-dichlorophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methanone?
The canonical SMILES for [2-(3,5-dichlorophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methanone is CC1CCS(=O)(=O)N1C(=O)C1CC1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of [2-(3,5-dichlorophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methanone?
The InChIKey is FPLPRBMUDKKFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3S/c1-8-2-3-21(19,20)17(8)14(18)13-7-12(13)9-4-10(15)6-11(16)5-9/h4-6,8,12-13H,2-3,7H2,1H3.
What are the key properties of [2-(3,5-dichlorophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methanone?
[2-(3,5-dichlorophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methanone has a molecular weight of 348.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichlorophenyl)cyclopropyl]-(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methanone is sourced from PubChem (CID 167935649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).