2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide

C13H25N3O3S — CID 129340144

IUPAC2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide
SMILESCC[C@@H](SC)C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1
InChIInChI=1S/C13H25N3O3S/c1-4-11(20-3)13(18)16-5-6-19-10(8-16)7-15(2)9-12(14)17/h10-11H,4-9H2,1-3H3,(H2,14,17)/t10-,11+/m0/s1
InChIKeyPNEPMKHDHBTKEO-WDEREUQCSA-N
MW303.43 g/mol
LogP-0.23
Rot. Bonds7

About 2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide

2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide (PubChem CID 129340144) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide
PubChem CID129340144
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide
SMILESCC[C@@H](SC)C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1
InChIInChI=1S/C13H25N3O3S/c1-4-11(20-3)13(18)16-5-6-19-10(8-16)7-15(2)9-12(14)17/h10-11H,4-9H2,1-3H3,(H2,14,17)/t10-,11+/m0/s1
InChIKeyPNEPMKHDHBTKEO-WDEREUQCSA-N
XLogP-0.23
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide with MolForge

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Related Compounds

2-[methyl-[[(2S)-4-[(2S)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340143
2-[methyl-[[(2R)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340141
2-[[4-[2-(dimethylamino)butanoyl]morpholin-2-yl]methyl-methylamino]acetamide
CID 128975039
2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide
CID 124875467
2-[(4-ethylsulfonylmorpholin-2-yl)methyl-methylamino]acetamide
CID 154739726
2-[methyl-[[(2R)-4-[(2S,5R)-5-methyloxolane-2-carbonyl]morpholin-2-yl]methyl]amino]acetamide
CID 129333738
2-[methyl-[[(2R)-4-(5-methylthiophene-2-carbonyl)morpholin-2-yl]methyl]amino]acetamide
CID 129478517
2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide
CID 128968365
2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606871
2-[[(2R)-4-(3-ethylpyridine-4-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide
CID 129340878
2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide
CID 129477993
2-[[(2R)-4-[(1S)-3,3-difluorocyclohexanecarbonyl]morpholin-2-yl]methyl-methylamino]acetamide
CID 124917958

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide?
The IUPAC name of 2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide (CID 129340144) is 2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide?
The canonical SMILES for 2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide is CC[C@@H](SC)C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1.
What is the InChIKey of 2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide?
The InChIKey is PNEPMKHDHBTKEO-WDEREUQCSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-4-11(20-3)13(18)16-5-6-19-10(8-16)7-15(2)9-12(14)17/h10-11H,4-9H2,1-3H3,(H2,14,17)/t10-,11+/m0/s1.
What are the key properties of 2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide?
2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide has a molecular weight of 303.43 g/mol, XLogP of -0.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[(2S)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 129340144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).