N-[1-oxo-1-(2,2,6-trimethylmorpholin-4-yl)propan-2-yl]methanesulfonamide

C11H22N2O4S — CID 48692827

IUPACN-[1-oxo-1-(2,2,6-trimethylmorpholin-4-yl)propan-2-yl]methanesulfonamide
SMILESCC1CN(C(=O)C(C)NS(C)(=O)=O)CC(C)(C)O1
InChIInChI=1S/C11H22N2O4S/c1-8-6-13(7-11(3,4)17-8)10(14)9(2)12-18(5,15)16/h8-9,12H,6-7H2,1-5H3
InChIKeyUREIJJRNUUDWOO-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.05
Rot. Bonds3

About N-[1-oxo-1-(2,2,6-trimethylmorpholin-4-yl)propan-2-yl]methanesulfonamide

N-[1-oxo-1-(2,2,6-trimethylmorpholin-4-yl)propan-2-yl]methanesulfonamide (PubChem CID 48692827) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[1-oxo-1-(2,2,6-trimethylmorpholin-4-yl)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-oxo-1-(2,2,6-trimethylmorpholin-4-yl)propan-2-yl]methanesulfonamide
PubChem CID48692827
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC NameN-[1-oxo-1-(2,2,6-trimethylmorpholin-4-yl)propan-2-yl]methanesulfonamide
SMILESCC1CN(C(=O)C(C)NS(C)(=O)=O)CC(C)(C)O1
InChIInChI=1S/C11H22N2O4S/c1-8-6-13(7-11(3,4)17-8)10(14)9(2)12-18(5,15)16/h8-9,12H,6-7H2,1-5H3
InChIKeyUREIJJRNUUDWOO-UHFFFAOYSA-N
XLogP-0.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 120820178
2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 131155747
N,N-diethyl-2,2,6-trimethylmorpholine-4-carboxamide
CID 115618659
(2R)-3-hydroxy-2-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]propanoic acid
CID 80756754
N-[3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide
CID 95157981
1-(2,2,6-trimethylmorpholin-4-yl)but-2-en-1-one
CID 78976791
2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 78958244
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)acetamide
CID 48632514
3-bromo-1-(2,2,6-trimethylmorpholin-4-yl)prop-2-yn-1-one
CID 131064900
(1-aminocyclopropyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
CID 119748927
(2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid
CID 107839512
N-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]methanesulfonamide
CID 94006107

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(2,2,6-trimethylmorpholin-4-yl)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-oxo-1-(2,2,6-trimethylmorpholin-4-yl)propan-2-yl]methanesulfonamide (CID 48692827) is N-[1-oxo-1-(2,2,6-trimethylmorpholin-4-yl)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-oxo-1-(2,2,6-trimethylmorpholin-4-yl)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-oxo-1-(2,2,6-trimethylmorpholin-4-yl)propan-2-yl]methanesulfonamide is CC1CN(C(=O)C(C)NS(C)(=O)=O)CC(C)(C)O1.
What is the InChIKey of N-[1-oxo-1-(2,2,6-trimethylmorpholin-4-yl)propan-2-yl]methanesulfonamide?
The InChIKey is UREIJJRNUUDWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-8-6-13(7-11(3,4)17-8)10(14)9(2)12-18(5,15)16/h8-9,12H,6-7H2,1-5H3.
What are the key properties of N-[1-oxo-1-(2,2,6-trimethylmorpholin-4-yl)propan-2-yl]methanesulfonamide?
N-[1-oxo-1-(2,2,6-trimethylmorpholin-4-yl)propan-2-yl]methanesulfonamide has a molecular weight of 278.37 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(2,2,6-trimethylmorpholin-4-yl)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 48692827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).