methyl (2R,6S)-4-hydroxy-6-methyl-1-(4-methylphenyl)sulfonyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate

C18H25NO5S — CID 102519096

IUPACmethyl (2R,6S)-4-hydroxy-6-methyl-1-(4-methylphenyl)sulfonyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCC[C@@H]1CC(O)=C(C(=O)OC)[C@H](C)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H25NO5S/c1-5-6-14-11-16(20)17(18(21)24-4)13(3)19(14)25(22,23)15-9-7-12(2)8-10-15/h7-10,13-14,20H,5-6,11H2,1-4H3/t13-,14+/m0/s1
InChIKeyLSDGKXDRCHSXBW-UONOGXRCSA-N
MW367.47 g/mol
LogP2.93
Rot. Bonds5

About methyl (2R,6S)-4-hydroxy-6-methyl-1-(4-methylphenyl)sulfonyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate

methyl (2R,6S)-4-hydroxy-6-methyl-1-(4-methylphenyl)sulfonyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 102519096) has the molecular formula C18H25NO5S and a molecular weight of 367.47 g/mol. Its IUPAC name is methyl (2R,6S)-4-hydroxy-6-methyl-1-(4-methylphenyl)sulfonyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6S)-4-hydroxy-6-methyl-1-(4-methylphenyl)sulfonyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID102519096
Molecular FormulaC18H25NO5S
Molecular Weight367.47 g/mol
Exact Mass367.15
IUPAC Namemethyl (2R,6S)-4-hydroxy-6-methyl-1-(4-methylphenyl)sulfonyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCC[C@@H]1CC(O)=C(C(=O)OC)[C@H](C)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H25NO5S/c1-5-6-14-11-16(20)17(18(21)24-4)13(3)19(14)25(22,23)15-9-7-12(2)8-10-15/h7-10,13-14,20H,5-6,11H2,1-4H3/t13-,14+/m0/s1
InChIKeyLSDGKXDRCHSXBW-UONOGXRCSA-N
XLogP2.93
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R,6S)-4-hydroxy-6-methyl-1-(4-methylphenyl)sulfonyl-2-propyl-3,6-dihydro-2H-pyridine-5-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 (2R,6S)-4-hydroxy-1-(4-methylphenyl)sulfonyl-2-phenyl-6-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 139038743
(2R,5R)-2,3-dimethyl-1-(4-methylphenyl)sulfonyl-5-propyl-2,5-dihydropyrrole
CID 100960703
(2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine
CID 127259597
[(2S,3S)-1-(4-methylphenyl)sulfonyl-3-propylaziridin-2-yl]methanol
CID 11334708
methyl (2S,4R,5S)-4-iodo-1-(4-methylphenyl)sulfonyl-5-propylpyrrolidine-2-carboxylate
CID 15408066
(2R,3S)-2-methyl-1-(4-methylphenyl)sulfonyl-3-propylaziridine
CID 7173720
methyl (2R,5S)-5-ethyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate;oxolane
CID 90971603
(2S,3R)-N,N-dimethoxy-1-(4-methylphenyl)sulfonyl-3-propylaziridine-2-carboxamide
CID 11221560
methyl 3-methyl-1-(4-methylphenyl)sulfonylaziridine-2-carboxylate
CID 10849577
ethyl 1-(4-methylphenyl)sulfonyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 101242785
methyl (1S,4R)-7-(4-methylphenyl)sulfonyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-7-azabicyclo[2.2.1]hept-2-ene-2-carboxylate
CID 10342190
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386

Frequently Asked Questions

What is the IUPAC name of methyl (2R,6S)-4-hydroxy-6-methyl-1-(4-methylphenyl)sulfonyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl (2R,6S)-4-hydroxy-6-methyl-1-(4-methylphenyl)sulfonyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 102519096) is methyl (2R,6S)-4-hydroxy-6-methyl-1-(4-methylphenyl)sulfonyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl (2R,6S)-4-hydroxy-6-methyl-1-(4-methylphenyl)sulfonyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl (2R,6S)-4-hydroxy-6-methyl-1-(4-methylphenyl)sulfonyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCC[C@@H]1CC(O)=C(C(=O)OC)[C@H](C)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl (2R,6S)-4-hydroxy-6-methyl-1-(4-methylphenyl)sulfonyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is LSDGKXDRCHSXBW-UONOGXRCSA-N. The full InChI is InChI=1S/C18H25NO5S/c1-5-6-14-11-16(20)17(18(21)24-4)13(3)19(14)25(22,23)15-9-7-12(2)8-10-15/h7-10,13-14,20H,5-6,11H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of methyl (2R,6S)-4-hydroxy-6-methyl-1-(4-methylphenyl)sulfonyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl (2R,6S)-4-hydroxy-6-methyl-1-(4-methylphenyl)sulfonyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 367.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6S)-4-hydroxy-6-methyl-1-(4-methylphenyl)sulfonyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 102519096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).