N-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide

C10H20N2O4S — CID 94093975

IUPACN-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESC[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C)CO1
InChIInChI=1S/C10H20N2O4S/c1-8-7-16-9(2)5-12(8)10(13)6-11(3)17(4,14)15/h8-9H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKeyKOAZLKMMDHLHJY-DTWKUNHWSA-N
MW264.35 g/mol
LogP-0.49
Rot. Bonds3

About N-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide

N-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide (PubChem CID 94093975) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide
PubChem CID94093975
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC NameN-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESC[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C)CO1
InChIInChI=1S/C10H20N2O4S/c1-8-7-16-9(2)5-12(8)10(13)6-11(3)17(4,14)15/h8-9H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKeyKOAZLKMMDHLHJY-DTWKUNHWSA-N
XLogP-0.49
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-N-methylcarbamate
CID 51081735
6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide
CID 47417132
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053963
1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053964
2-cyclopentyl-1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]ethanone
CID 95157279
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]octan-1-one
CID 98368513
3-[(2,5-dimethylmorpholine-4-carbonyl)-methylamino]propanoic acid
CID 61200735
2-(1-aminocyclobutyl)-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 79851814
1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one
CID 60842405
4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 81071477
N-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 136534158
1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119729187

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide (CID 94093975) is N-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide is C[C@@H]1CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C)CO1.
What is the InChIKey of N-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The InChIKey is KOAZLKMMDHLHJY-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8-7-16-9(2)5-12(8)10(13)6-11(3)17(4,14)15/h8-9H,5-7H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of N-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
N-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide has a molecular weight of 264.35 g/mol, XLogP of -0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 94093975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).