3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide

C14H20N2O4S — CID 94051447

IUPAC3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)OC[C@@H]2C)c1
InChIInChI=1S/C14H20N2O4S/c1-10-9-20-11(2)8-16(10)14(17)12-5-4-6-13(7-12)21(18,19)15-3/h4-7,10-11,15H,8-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyAAMZKXRLAHWSEP-WDEREUQCSA-N
MW312.39 g/mol
LogP0.84
Rot. Bonds3

About 3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide

3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide (PubChem CID 94051447) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
PubChem CID94051447
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)OC[C@@H]2C)c1
InChIInChI=1S/C14H20N2O4S/c1-10-9-20-11(2)8-16(10)14(17)12-5-4-6-13(7-12)21(18,19)15-3/h4-7,10-11,15H,8-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyAAMZKXRLAHWSEP-WDEREUQCSA-N
XLogP0.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55586374
(2,5-dimethylmorpholin-4-yl)-(3-iodophenyl)methanone
CID 47163087
(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926
(2,5-dimethylmorpholin-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 51077388
N-[3-(2,5-dimethylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55831038
[3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 51077390
[(2S,5R)-2,5-dimethylmorpholin-4-yl]-(4-methylsulfonylphenyl)methanone
CID 94050959
(2,5-dimethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60817027
N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 51160647
(3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103734967
1-[3-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 94786854
N-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide
CID 94881292

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide (CID 94051447) is 3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)OC[C@@H]2C)c1.
What is the InChIKey of 3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide?
The InChIKey is AAMZKXRLAHWSEP-WDEREUQCSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-9-20-11(2)8-16(10)14(17)12-5-4-6-13(7-12)21(18,19)15-3/h4-7,10-11,15H,8-9H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of 3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide?
3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 94051447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).