(6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid

C16H22N2O6S — CID 120536013

IUPAC(6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid
SMILESCCNS(=O)(=O)c1ccc(CC(=O)N2CC(C(=O)O)O[C@H](C)C2)cc1
InChIInChI=1S/C16H22N2O6S/c1-3-17-25(22,23)13-6-4-12(5-7-13)8-15(19)18-9-11(2)24-14(10-18)16(20)21/h4-7,11,14,17H,3,8-10H2,1-2H3,(H,20,21)/t11-,14?/m1/s1
InChIKeyDXKXZPSIDRSPCQ-YNODCEANSA-N
MW370.43 g/mol
LogP0.23
Rot. Bonds6

About (6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid

(6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid (PubChem CID 120536013) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is (6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid
PubChem CID120536013
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC Name(6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid
SMILESCCNS(=O)(=O)c1ccc(CC(=O)N2CC(C(=O)O)O[C@H](C)C2)cc1
InChIInChI=1S/C16H22N2O6S/c1-3-17-25(22,23)13-6-4-12(5-7-13)8-15(19)18-9-11(2)24-14(10-18)16(20)21/h4-7,11,14,17H,3,8-10H2,1-2H3,(H,20,21)/t11-,14?/m1/s1
InChIKeyDXKXZPSIDRSPCQ-YNODCEANSA-N
XLogP0.23
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828194
1-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691679
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenyl)ethanone
CID 973340
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121972
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121974
N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-4-methoxybenzenesulfonamide
CID 31466785
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-propylbenzenesulfonamide
CID 18141505
N-ethyl-4-[2-[2-(2-hydroxyethyl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide
CID 154757584
(6R)-4-[2-(2-chloro-4-nitrophenyl)acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120536229
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2-phenylacetamide
CID 51160848
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-hydroxyphenyl)ethanone
CID 102934069
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2645845

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid?
The IUPAC name of (6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid (CID 120536013) is (6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid.
What is the SMILES notation for (6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid?
The canonical SMILES for (6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid is CCNS(=O)(=O)c1ccc(CC(=O)N2CC(C(=O)O)O[C@H](C)C2)cc1.
What is the InChIKey of (6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid?
The InChIKey is DXKXZPSIDRSPCQ-YNODCEANSA-N. The full InChI is InChI=1S/C16H22N2O6S/c1-3-17-25(22,23)13-6-4-12(5-7-13)8-15(19)18-9-11(2)24-14(10-18)16(20)21/h4-7,11,14,17H,3,8-10H2,1-2H3,(H,20,21)/t11-,14?/m1/s1.
What are the key properties of (6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid?
(6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid has a molecular weight of 370.43 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid is sourced from PubChem (CID 120536013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).