N-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide

C13H26N2O4S — CID 94006107

IUPACN-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide
SMILESCC(C)C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H26N2O4S/c1-9(2)6-12(14-20(5,17)18)13(16)15-7-10(3)19-11(4)8-15/h9-12,14H,6-8H2,1-5H3/t10-,11+,12-/m1/s1
InChIKeyUNCHCBJAXKFYNN-GRYCIOLGSA-N
MW306.43 g/mol
LogP0.59
Rot. Bonds5

About N-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide

N-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide (PubChem CID 94006107) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide
PubChem CID94006107
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC NameN-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide
SMILESCC(C)C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H26N2O4S/c1-9(2)6-12(14-20(5,17)18)13(16)15-7-10(3)19-11(4)8-15/h9-12,14H,6-8H2,1-5H3/t10-,11+,12-/m1/s1
InChIKeyUNCHCBJAXKFYNN-GRYCIOLGSA-N
XLogP0.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide with MolForge

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Related Compounds

N-[(3R)-1-[(2R)-2-(methanesulfonamido)-4-methylpentanoyl]piperidin-3-yl]acetamide
CID 97313843
3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one
CID 104958278
[1-(2,6-dimethylmorpholin-4-yl)-1-oxobutan-2-yl]carbamic acid
CID 134519440
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one
CID 103932975
(2S)-2-bromo-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 124552619
N-[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
CID 35510552
2-(cyclopentylsulfamoylamino)-4-methyl-1-morpholin-4-ylpentan-1-one
CID 110625583
1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 78786496
2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 13443889
(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one
CID 126831461
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpentan-1-one
CID 102932545
(2S,6S)-2,6-dimethylmorpholine-4-carboxylic acid
CID 137442866

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide (CID 94006107) is N-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide is CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of N-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide?
The InChIKey is UNCHCBJAXKFYNN-GRYCIOLGSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-9(2)6-12(14-20(5,17)18)13(16)15-7-10(3)19-11(4)8-15/h9-12,14H,6-8H2,1-5H3/t10-,11+,12-/m1/s1.
What are the key properties of N-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide?
N-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide has a molecular weight of 306.43 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide is sourced from PubChem (CID 94006107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).