methyl 1-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate

C17H22N2O7S2 — CID 42271942

IUPACmethyl 1-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)CC1
InChIInChI=1S/C17H22N2O7S2/c1-12-11-27(22,23)19(16(12)20)14-3-5-15(6-4-14)28(24,25)18-9-7-13(8-10-18)17(21)26-2/h3-6,12-13H,7-11H2,1-2H3/t12-/m0/s1
InChIKeyKFOQWKOGIDBNRU-LBPRGKRZSA-N
MW430.50 g/mol
LogP0.57
Rot. Bonds4

About methyl 1-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate

methyl 1-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate (PubChem CID 42271942) has the molecular formula C17H22N2O7S2 and a molecular weight of 430.50 g/mol. Its IUPAC name is methyl 1-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate
PubChem CID42271942
Molecular FormulaC17H22N2O7S2
Molecular Weight430.50 g/mol
Exact Mass430.09
IUPAC Namemethyl 1-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)CC1
InChIInChI=1S/C17H22N2O7S2/c1-12-11-27(22,23)19(16(12)20)14-3-5-15(6-4-14)28(24,25)18-9-7-13(8-10-18)17(21)26-2/h3-6,12-13H,7-11H2,1-2H3/t12-/m0/s1
InChIKeyKFOQWKOGIDBNRU-LBPRGKRZSA-N
XLogP0.57
TPSA118.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate with MolForge

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Related Compounds

methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
(4S)-2-[4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
CID 42271491
methyl 1-[4-(difluoromethylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 34032036
4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 42227729
methyl 4-chloro-3-[[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylamino]benzoate
CID 42271987
methyl 1-[4-(prop-2-enoylamino)phenyl]sulfonylpiperidine-4-carboxylate
CID 67192747
methyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 43404909
methyl 1-(4-amino-3-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 82845277
4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 21004841
ethyl (3R)-1-[2-methoxy-5-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-3-carboxylate
CID 51690817
1-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperidine-4-carboxamide
CID 26824225
N-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004882

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate (CID 42271942) is methyl 1-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)CC1.
What is the InChIKey of methyl 1-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate?
The InChIKey is KFOQWKOGIDBNRU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N2O7S2/c1-12-11-27(22,23)19(16(12)20)14-3-5-15(6-4-14)28(24,25)18-9-7-13(8-10-18)17(21)26-2/h3-6,12-13H,7-11H2,1-2H3/t12-/m0/s1.
What are the key properties of methyl 1-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate?
methyl 1-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate has a molecular weight of 430.50 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 42271942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).