2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one

C10H20N2O4S — CID 106774307

IUPAC2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one
SMILESC[C@@H]1COCCN1C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-8-7-16-5-4-12(8)10(13)9(11)3-6-17(2,14)15/h8-9H,3-7,11H2,1-2H3/t8-,9?/m1/s1
InChIKeyHRGFFIILXCYDKK-VEDVMXKPSA-N
MW264.35 g/mol
LogP-1.00
Rot. Bonds4

About 2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one

2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one (PubChem CID 106774307) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one
PubChem CID106774307
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one
SMILESC[C@@H]1COCCN1C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-8-7-16-5-4-12(8)10(13)9(11)3-6-17(2,14)15/h8-9H,3-7,11H2,1-2H3/t8-,9?/m1/s1
InChIKeyHRGFFIILXCYDKK-VEDVMXKPSA-N
XLogP-1.00
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 106774483
4-(2-amino-4-methylsulfonylbutanoyl)-N-ethylmorpholine-3-carboxamide
CID 83097232
2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one
CID 106774404
2-[(3-methylmorpholine-4-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61209766
(2R)-2-amino-3-methyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111667
(2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one
CID 103928483
2-amino-3-(4-hydroxyphenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 106774255
4-[(2R)-2-aminopentanoyl]morpholine-3-carboxylic acid
CID 103871081
2-amino-4-methylsulfonyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114536852
2-amino-1-(4-methylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 24709913
2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one
CID 115588328
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one?
The IUPAC name of 2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one (CID 106774307) is 2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one.
What is the SMILES notation for 2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one?
The canonical SMILES for 2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one is C[C@@H]1COCCN1C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one?
The InChIKey is HRGFFIILXCYDKK-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8-7-16-5-4-12(8)10(13)9(11)3-6-17(2,14)15/h8-9H,3-7,11H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of 2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one?
2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one has a molecular weight of 264.35 g/mol, XLogP of -1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one is sourced from PubChem (CID 106774307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).