2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide

C13H27N3O4S — CID 56867283

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide
SMILESCC(C(=O)NCCN(C)S(C)(=O)=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H27N3O4S/c1-10-8-16(9-11(2)20-10)12(3)13(17)14-6-7-15(4)21(5,18)19/h10-12H,6-9H2,1-5H3,(H,14,17)/t10-,11+,12?
InChIKeyFPNBJCPQJRRMLF-FOSCPWQOSA-N
MW321.44 g/mol
LogP-0.51
Rot. Bonds6

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide (PubChem CID 56867283) has the molecular formula C13H27N3O4S and a molecular weight of 321.44 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide
PubChem CID56867283
Molecular FormulaC13H27N3O4S
Molecular Weight321.44 g/mol
Exact Mass321.17
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide
SMILESCC(C(=O)NCCN(C)S(C)(=O)=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H27N3O4S/c1-10-8-16(9-11(2)20-10)12(3)13(17)14-6-7-15(4)21(5,18)19/h10-12H,6-9H2,1-5H3,(H,14,17)/t10-,11+,12?
InChIKeyFPNBJCPQJRRMLF-FOSCPWQOSA-N
XLogP-0.51
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-[[(2R)-4-acetyl-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate
CID 7663447
1-(2-methoxyethyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
CID 53383312
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 53509564
N-[1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]acetamide
CID 128537882
2-(N-methylmethylsulfonamido)-N-(4-morpholinobut-2-yn-1-yl)acetamide
CID 71792713
N-[(2S)-1-morpholin-4-yl-1-oxobutan-2-yl]methanesulfonamide
CID 58935368
N-[(4-acetylmorpholin-2-yl)methyl]methanesulfonamide
CID 59268311
(2S)-2-amino-N-[2-(morpholin-2-ylsulfonylamino)ethyl]propanamide
CID 141017699
N-[2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethyl]-2-propan-2-yloxyacetamide
CID 167136480
N-[2-(dimethylamino)ethyl]-4-methylsulfonylmorpholine-2-carboxamide
CID 176387499
methyl (2R)-2-[[(2S)-1-methylsulfonylpiperazin-4-ium-2-carbonyl]amino]propanoate
CID 7663289
methyl (2R)-2-[[(2S)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate
CID 7663290

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide (CID 56867283) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide is CC(C(=O)NCCN(C)S(C)(=O)=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide?
The InChIKey is FPNBJCPQJRRMLF-FOSCPWQOSA-N. The full InChI is InChI=1S/C13H27N3O4S/c1-10-8-16(9-11(2)20-10)12(3)13(17)14-6-7-15(4)21(5,18)19/h10-12H,6-9H2,1-5H3,(H,14,17)/t10-,11+,12?.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide has a molecular weight of 321.44 g/mol, XLogP of -0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide is sourced from PubChem (CID 56867283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).