methyl 1-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperidine-4-carboxylate

C17H24N2O4S — CID 51359874

IUPACmethyl 1-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C2CN(Cc3ccccc3)S(=O)(=O)C2)CC1
InChIInChI=1S/C17H24N2O4S/c1-23-17(20)15-7-9-18(10-8-15)16-12-19(24(21,22)13-16)11-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
InChIKeyJOSFEJLRCRBBOT-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.09
Rot. Bonds4

About methyl 1-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperidine-4-carboxylate

methyl 1-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperidine-4-carboxylate (PubChem CID 51359874) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is methyl 1-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperidine-4-carboxylate
PubChem CID51359874
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Namemethyl 1-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C2CN(Cc3ccccc3)S(=O)(=O)C2)CC1
InChIInChI=1S/C17H24N2O4S/c1-23-17(20)15-7-9-18(10-8-15)16-12-19(24(21,22)13-16)11-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
InChIKeyJOSFEJLRCRBBOT-UHFFFAOYSA-N
XLogP1.09
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperidine-4-carboxylate with MolForge

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Related Compounds

Methyl 1-(benzylsulfonyl)piperidine-4-carboxylate
CID 646167
Ethyl 1-benzylsulfonylpiperidine-4-carboxylate
CID 772060
ethyl 1-[N-benzyl-N-(methylsulfonyl)glycyl]-4-piperidinecarboxylate
CID 982228
methyl (2S)-2-[benzyl(2-pyrrolidin-1-ylethylsulfonyl)amino]-3-methylbutanoate
CID 44602040
4-(4-Benzylpiperazin-1-yl)-2-butyl-1,2-thiazolidine 1,1-dioxide
CID 51359859
Methyl 1-[2-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperidine-4-carboxylate
CID 51359905
Methyl 1-[2-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperidine-4-carboxylate
CID 51360647
Methyl 1-[2-[(4-nitrophenyl)methyl]-1,1-dioxo-1,2-thiazolidin-4-yl]piperidine-4-carboxylate
CID 51360654
9-Ethylsulfonyl-1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 118742654
Ethyl 2-benzyl-1,2-thiazolidine-5-carboxylate 1,1-dioxide
CID 129800057
Ethyl 1-{[3-(2,3-difluorophenyl)-2-methyl-1,2-oxazolidin-4-YL]sulfonyl}piperidine-4-carboxylate
CID 46071370
(1-Ethylsulfonylpiperidin-4-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 51121675

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperidine-4-carboxylate (CID 51359874) is methyl 1-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperidine-4-carboxylate is COC(=O)C1CCN(C2CN(Cc3ccccc3)S(=O)(=O)C2)CC1.
What is the InChIKey of methyl 1-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperidine-4-carboxylate?
The InChIKey is JOSFEJLRCRBBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-23-17(20)15-7-9-18(10-8-15)16-12-19(24(21,22)13-16)11-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3.
What are the key properties of methyl 1-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperidine-4-carboxylate?
methyl 1-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperidine-4-carboxylate has a molecular weight of 352.46 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 51359874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).