1-(2,6-dichlorophenyl)-2-[(3R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-(hydroxymethyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]ethanone

C23H27Cl2N3O5S — CID 157266037

IUPAC1-(2,6-dichlorophenyl)-2-[(3R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-(hydroxymethyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]ethanone
SMILESC[C@@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@H](CO)Oc3ncc(CC(=O)c4c(Cl)cccc4Cl)cc32)C1
InChIInChI=1S/C23H27Cl2N3O5S/c1-14-6-15(2)11-27(10-14)34(31,32)28-12-17(13-29)33-23-20(28)7-16(9-26-23)8-21(30)22-18(24)4-3-5-19(22)25/h3-5,7,9,14-15,17,29H,6,8,10-13H2,1-2H3/t14-,15+,17-/m1/s1
InChIKeyAXZVFMKGFGYWDL-HLLBOEOZSA-N
MW528.46 g/mol
LogP3.60
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-2-[(3R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-(hydroxymethyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]ethanone

1-(2,6-dichlorophenyl)-2-[(3R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-(hydroxymethyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]ethanone (PubChem CID 157266037) has the molecular formula C23H27Cl2N3O5S and a molecular weight of 528.46 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-[(3R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-(hydroxymethyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-[(3R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-(hydroxymethyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]ethanone
PubChem CID157266037
Molecular FormulaC23H27Cl2N3O5S
Molecular Weight528.46 g/mol
Exact Mass527.10
IUPAC Name1-(2,6-dichlorophenyl)-2-[(3R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-(hydroxymethyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]ethanone
SMILESC[C@@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@H](CO)Oc3ncc(CC(=O)c4c(Cl)cccc4Cl)cc32)C1
InChIInChI=1S/C23H27Cl2N3O5S/c1-14-6-15(2)11-27(10-14)34(31,32)28-12-17(13-29)33-23-20(28)7-16(9-26-23)8-21(30)22-18(24)4-3-5-19(22)25/h3-5,7,9,14-15,17,29H,6,8,10-13H2,1-2H3/t14-,15+,17-/m1/s1
InChIKeyAXZVFMKGFGYWDL-HLLBOEOZSA-N
XLogP3.60
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,6-dichlorophenyl)-2-[(3R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-(hydroxymethyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]ethanone 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

1-(2-chloro-6-fluorophenyl)-2-[(2R)-4-(4-fluorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]ethanone
CID 157188951
1-(2,6-dichlorophenyl)-2-[(2R)-2-(hydroxymethyl)-4-[(2R,5S)-2-(hydroxymethyl)-5-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]ethanone
CID 160775931
N-[1-(3-cyclopropylphenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]acetamide
CID 161476933
N-[(2R)-4-[[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide
CID 118070736
propan-2-yl N-[(3R)-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]carbamate
CID 157114008
2,6-dichloro-N-[(3S)-1-(3-chlorophenyl)sulfonyl-3-[(dimethylcarbamoylamino)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide
CID 118033503
(2S)-2-amino-N-[(3R)-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide
CID 147703963
1-(2,6-dichlorophenyl)-2-[(6R)-6-(hydroxymethyl)-8-(4-methylpiperidin-1-yl)sulfonyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone
CID 158628471
(3S)-1-[(3S)-3-methyl-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-3-phenylbutan-2-one
CID 147288456
(2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 42947009
1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine
CID 17257572
2,6-dichloro-N-[1-(3-chlorophenyl)sulfonyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide
CID 123259288

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-[(3R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-(hydroxymethyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]ethanone?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-[(3R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-(hydroxymethyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]ethanone (CID 157266037) is 1-(2,6-dichlorophenyl)-2-[(3R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-(hydroxymethyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]ethanone.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-[(3R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-(hydroxymethyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]ethanone?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-[(3R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-(hydroxymethyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]ethanone is C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2C[C@H](CO)Oc3ncc(CC(=O)c4c(Cl)cccc4Cl)cc32)C1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-[(3R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-(hydroxymethyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]ethanone?
The InChIKey is AXZVFMKGFGYWDL-HLLBOEOZSA-N. The full InChI is InChI=1S/C23H27Cl2N3O5S/c1-14-6-15(2)11-27(10-14)34(31,32)28-12-17(13-29)33-23-20(28)7-16(9-26-23)8-21(30)22-18(24)4-3-5-19(22)25/h3-5,7,9,14-15,17,29H,6,8,10-13H2,1-2H3/t14-,15+,17-/m1/s1.
What are the key properties of 1-(2,6-dichlorophenyl)-2-[(3R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-(hydroxymethyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]ethanone?
1-(2,6-dichlorophenyl)-2-[(3R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-(hydroxymethyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]ethanone has a molecular weight of 528.46 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-[(3R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-(hydroxymethyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]ethanone is sourced from PubChem (CID 157266037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).