methyl (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylate

C19H25NO6S — CID 142504116

IUPACmethyl (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1CS(=O)(=O)CN1C(=O)C1(c2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C19H25NO6S/c1-25-15-8-6-14(7-9-15)19(10-4-3-5-11-19)18(22)20-13-27(23,24)12-16(20)17(21)26-2/h6-9,16H,3-5,10-13H2,1-2H3/t16-/m1/s1
InChIKeyDNIDCDMVBBVIHX-MRXNPFEDSA-N
MW395.48 g/mol
LogP1.65
Rot. Bonds4

About methyl (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylate

methyl (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylate (PubChem CID 142504116) has the molecular formula C19H25NO6S and a molecular weight of 395.48 g/mol. Its IUPAC name is methyl (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylate
PubChem CID142504116
Molecular FormulaC19H25NO6S
Molecular Weight395.48 g/mol
Exact Mass395.14
IUPAC Namemethyl (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1CS(=O)(=O)CN1C(=O)C1(c2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C19H25NO6S/c1-25-15-8-6-14(7-9-15)19(10-4-3-5-11-19)18(22)20-13-27(23,24)12-16(20)17(21)26-2/h6-9,16H,3-5,10-13H2,1-2H3/t16-/m1/s1
InChIKeyDNIDCDMVBBVIHX-MRXNPFEDSA-N
XLogP1.65
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylate 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

methyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate
CID 142504337
(2R)-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-N-phenylpyrrolidine-2-carboxamide
CID 146500299
[1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone
CID 110485731
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1-methylindazol-4-yl)pyrrolidine-2-carboxamide;1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid;methyl 1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylate
CID 157419858
(2R)-4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]morpholine-2-carboxamide
CID 94370776
(3S,4S)-1-[1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112624
methyl 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylate
CID 43423447
1-[1-(4-methoxyphenyl)cyclobutanecarbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119792
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 47921881
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 56914468
[1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91919120

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylate (CID 142504116) is methyl (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylate is COC(=O)[C@H]1CS(=O)(=O)CN1C(=O)C1(c2ccc(OC)cc2)CCCCC1.
What is the InChIKey of methyl (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylate?
The InChIKey is DNIDCDMVBBVIHX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25NO6S/c1-25-15-8-6-14(7-9-15)19(10-4-3-5-11-19)18(22)20-13-27(23,24)12-16(20)17(21)26-2/h6-9,16H,3-5,10-13H2,1-2H3/t16-/m1/s1.
What are the key properties of methyl (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylate?
methyl (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylate has a molecular weight of 395.48 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-3-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-1,1-dioxo-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 142504116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).