2-[(2S,5R)-2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]-N-methyl-2-oxoethanesulfonamide

C16H24N2O4S — CID 129487234

IUPAC2-[(2S,5R)-2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]-N-methyl-2-oxoethanesulfonamide
SMILESCNS(=O)(=O)CC(=O)N1C[C@H](C)CC[C@H]1c1ccccc1OC
InChIInChI=1S/C16H24N2O4S/c1-12-8-9-14(13-6-4-5-7-15(13)22-3)18(10-12)16(19)11-23(20,21)17-2/h4-7,12,14,17H,8-11H2,1-3H3/t12-,14+/m1/s1
InChIKeyUMKVOWFYHKKPSX-OCCSQVGLSA-N
MW340.45 g/mol
LogP1.54
Rot. Bonds5

About 2-[(2S,5R)-2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]-N-methyl-2-oxoethanesulfonamide

2-[(2S,5R)-2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]-N-methyl-2-oxoethanesulfonamide (PubChem CID 129487234) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[(2S,5R)-2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]-N-methyl-2-oxoethanesulfonamide.

Molecular Properties

Compound Name2-[(2S,5R)-2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]-N-methyl-2-oxoethanesulfonamide
PubChem CID129487234
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name2-[(2S,5R)-2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]-N-methyl-2-oxoethanesulfonamide
SMILESCNS(=O)(=O)CC(=O)N1C[C@H](C)CC[C@H]1c1ccccc1OC
InChIInChI=1S/C16H24N2O4S/c1-12-8-9-14(13-6-4-5-7-15(13)22-3)18(10-12)16(19)11-23(20,21)17-2/h4-7,12,14,17H,8-11H2,1-3H3/t12-,14+/m1/s1
InChIKeyUMKVOWFYHKKPSX-OCCSQVGLSA-N
XLogP1.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023957
4-[(2R,5S)-2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 129487230
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625391
2-chloro-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176997579
2-[[2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]sulfonylmethyl]pyridine
CID 166308467
4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one
CID 120562159
[4-[2,4-dichloro-5-[2-(2-methoxyphenyl)-5-methylpiperidine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 166354115
1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 72837856
methyl (2S)-1-(2-aminoacetyl)-5-(2-methoxyphenyl)pyrrolidine-2-carboxylate
CID 15837674
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110631963
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119771470
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentylsulfonylethanone;hydrochloride
CID 120734916

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]-N-methyl-2-oxoethanesulfonamide?
The IUPAC name of 2-[(2S,5R)-2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]-N-methyl-2-oxoethanesulfonamide (CID 129487234) is 2-[(2S,5R)-2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]-N-methyl-2-oxoethanesulfonamide.
What is the SMILES notation for 2-[(2S,5R)-2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]-N-methyl-2-oxoethanesulfonamide?
The canonical SMILES for 2-[(2S,5R)-2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]-N-methyl-2-oxoethanesulfonamide is CNS(=O)(=O)CC(=O)N1C[C@H](C)CC[C@H]1c1ccccc1OC.
What is the InChIKey of 2-[(2S,5R)-2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]-N-methyl-2-oxoethanesulfonamide?
The InChIKey is UMKVOWFYHKKPSX-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12-8-9-14(13-6-4-5-7-15(13)22-3)18(10-12)16(19)11-23(20,21)17-2/h4-7,12,14,17H,8-11H2,1-3H3/t12-,14+/m1/s1.
What are the key properties of 2-[(2S,5R)-2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]-N-methyl-2-oxoethanesulfonamide?
2-[(2S,5R)-2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]-N-methyl-2-oxoethanesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-2-(2-methoxyphenyl)-5-methylpiperidin-1-yl]-N-methyl-2-oxoethanesulfonamide is sourced from PubChem (CID 129487234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).