methyl 3-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]-2-methylpropanoate

C10H19NO6S — CID 55007237

IUPACmethyl 3-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)S(=O)(=O)C(C)C(=O)OC
InChIInChI=1S/C10H19NO6S/c1-7(9(12)16-4)6-11(3)18(14,15)8(2)10(13)17-5/h7-8H,6H2,1-5H3
InChIKeyWQUKGYYFZOTCTJ-UHFFFAOYSA-N
MW281.33 g/mol
LogP-0.38
Rot. Bonds6

About methyl 3-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]-2-methylpropanoate

methyl 3-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]-2-methylpropanoate (PubChem CID 55007237) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 3-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]-2-methylpropanoate
PubChem CID55007237
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Namemethyl 3-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)S(=O)(=O)C(C)C(=O)OC
InChIInChI=1S/C10H19NO6S/c1-7(9(12)16-4)6-11(3)18(14,15)8(2)10(13)17-5/h7-8H,6H2,1-5H3
InChIKeyWQUKGYYFZOTCTJ-UHFFFAOYSA-N
XLogP-0.38
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]-2-methylpropanoate (CID 55007237) is methyl 3-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)S(=O)(=O)C(C)C(=O)OC.
What is the InChIKey of methyl 3-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]-2-methylpropanoate?
The InChIKey is WQUKGYYFZOTCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S/c1-7(9(12)16-4)6-11(3)18(14,15)8(2)10(13)17-5/h7-8H,6H2,1-5H3.
What are the key properties of methyl 3-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]-2-methylpropanoate?
methyl 3-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]-2-methylpropanoate has a molecular weight of 281.33 g/mol, XLogP of -0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-methylamino]-2-methylpropanoate is sourced from PubChem (CID 55007237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).