N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide

C14H21N3O4S — CID 31268214

IUPACN-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
SMILESC[C@@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C14H21N3O4S/c1-11(14(18)17-7-9-21-10-8-17)15-12-3-5-13(6-4-12)16-22(2,19)20/h3-6,11,15-16H,7-10H2,1-2H3/t11-/m1/s1
InChIKeyZECLYWPIJRPVIS-LLVKDONJSA-N
MW327.41 g/mol
LogP0.72
Rot. Bonds5

About N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide

N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide (PubChem CID 31268214) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
PubChem CID31268214
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
SMILESC[C@@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C14H21N3O4S/c1-11(14(18)17-7-9-21-10-8-17)15-12-3-5-13(6-4-12)16-22(2,19)20/h3-6,11,15-16H,7-10H2,1-2H3/t11-/m1/s1
InChIKeyZECLYWPIJRPVIS-LLVKDONJSA-N
XLogP0.72
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
CID 31268710
1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one
CID 43084708
2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile
CID 60661902
2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 78907264
2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one
CID 115378152
N-[4-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 40927940
5-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyridine-2-carbonitrile
CID 97120466
(2R)-1-morpholin-4-yl-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propan-1-one
CID 95579028
3,4-dimethyl-N-[3-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide
CID 39965056
2-(3-fluoro-4-methoxyanilino)-1-morpholin-4-ylpropan-1-one
CID 43380769
2-(3,5-dichloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 103579849
N-[4-[[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
CID 31268249

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide (CID 31268214) is N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide is C[C@@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)N1CCOCC1.
What is the InChIKey of N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide?
The InChIKey is ZECLYWPIJRPVIS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-11(14(18)17-7-9-21-10-8-17)15-12-3-5-13(6-4-12)16-22(2,19)20/h3-6,11,15-16H,7-10H2,1-2H3/t11-/m1/s1.
What are the key properties of N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide?
N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 31268214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).