2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide

C13H18N2O4S — CID 47198060

IUPAC2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CCO1
InChIInChI=1S/C13H18N2O4S/c1-10-9-15(7-8-19-10)13(16)14-11-3-5-12(6-4-11)20(2,17)18/h3-6,10H,7-9H2,1-2H3,(H,14,16)
InChIKeyNRUAVHIRQHBPNL-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.34
Rot. Bonds2

About 2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide

2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide (PubChem CID 47198060) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide
PubChem CID47198060
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CCO1
InChIInChI=1S/C13H18N2O4S/c1-10-9-15(7-8-19-10)13(16)14-11-3-5-12(6-4-11)20(2,17)18/h3-6,10H,7-9H2,1-2H3,(H,14,16)
InChIKeyNRUAVHIRQHBPNL-UHFFFAOYSA-N
XLogP1.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide
CID 95772641
4-chloro-3-(2-methylmorpholine-4-carbonyl)-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 24575619
(2R)-N-(4-chloro-3-methylsulfonylphenyl)-2-methyl-1,4-oxazepane-4-carboxamide
CID 124621858
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 46510193
(2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 94183755
2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 61398640
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-methylmorpholine-4-carboxamide
CID 94165295
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
methyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 94167830
(3R)-3-anilino-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 95239711
(2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 94176614
ethyl (E)-3-[4-[[(2R)-2-methylmorpholine-4-carbonyl]amino]phenyl]prop-2-enoate
CID 94163940

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide?
The IUPAC name of 2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide (CID 47198060) is 2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide is CC1CN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CCO1.
What is the InChIKey of 2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide?
The InChIKey is NRUAVHIRQHBPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10-9-15(7-8-19-10)13(16)14-11-3-5-12(6-4-11)20(2,17)18/h3-6,10H,7-9H2,1-2H3,(H,14,16).
What are the key properties of 2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide?
2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 47198060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).