(1-ethoxy-1-oxopropan-2-yl) 2-(butylsulfonylamino)-3-methylbutanoate

C14H27NO6S — CID 163857453

IUPAC(1-ethoxy-1-oxopropan-2-yl) 2-(butylsulfonylamino)-3-methylbutanoate
SMILESCCCCS(=O)(=O)NC(C(=O)OC(C)C(=O)OCC)C(C)C
InChIInChI=1S/C14H27NO6S/c1-6-8-9-22(18,19)15-12(10(3)4)14(17)21-11(5)13(16)20-7-2/h10-12,15H,6-9H2,1-5H3
InChIKeyOZNPOWFFBLEWMC-UHFFFAOYSA-N
MW337.44 g/mol
LogP1.23
Rot. Bonds10

About (1-ethoxy-1-oxopropan-2-yl) 2-(butylsulfonylamino)-3-methylbutanoate

(1-ethoxy-1-oxopropan-2-yl) 2-(butylsulfonylamino)-3-methylbutanoate (PubChem CID 163857453) has the molecular formula C14H27NO6S and a molecular weight of 337.44 g/mol. Its IUPAC name is (1-ethoxy-1-oxopropan-2-yl) 2-(butylsulfonylamino)-3-methylbutanoate.

Molecular Properties

Compound Name(1-ethoxy-1-oxopropan-2-yl) 2-(butylsulfonylamino)-3-methylbutanoate
PubChem CID163857453
Molecular FormulaC14H27NO6S
Molecular Weight337.44 g/mol
Exact Mass337.16
IUPAC Name(1-ethoxy-1-oxopropan-2-yl) 2-(butylsulfonylamino)-3-methylbutanoate
SMILESCCCCS(=O)(=O)NC(C(=O)OC(C)C(=O)OCC)C(C)C
InChIInChI=1S/C14H27NO6S/c1-6-8-9-22(18,19)15-12(10(3)4)14(17)21-11(5)13(16)20-7-2/h10-12,15H,6-9H2,1-5H3
InChIKeyOZNPOWFFBLEWMC-UHFFFAOYSA-N
XLogP1.23
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-1-oxopropan-2-yl) 2-(butylsulfonylamino)-3-methylbutanoate?
The IUPAC name of (1-ethoxy-1-oxopropan-2-yl) 2-(butylsulfonylamino)-3-methylbutanoate (CID 163857453) is (1-ethoxy-1-oxopropan-2-yl) 2-(butylsulfonylamino)-3-methylbutanoate.
What is the SMILES notation for (1-ethoxy-1-oxopropan-2-yl) 2-(butylsulfonylamino)-3-methylbutanoate?
The canonical SMILES for (1-ethoxy-1-oxopropan-2-yl) 2-(butylsulfonylamino)-3-methylbutanoate is CCCCS(=O)(=O)NC(C(=O)OC(C)C(=O)OCC)C(C)C.
What is the InChIKey of (1-ethoxy-1-oxopropan-2-yl) 2-(butylsulfonylamino)-3-methylbutanoate?
The InChIKey is OZNPOWFFBLEWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO6S/c1-6-8-9-22(18,19)15-12(10(3)4)14(17)21-11(5)13(16)20-7-2/h10-12,15H,6-9H2,1-5H3.
What are the key properties of (1-ethoxy-1-oxopropan-2-yl) 2-(butylsulfonylamino)-3-methylbutanoate?
(1-ethoxy-1-oxopropan-2-yl) 2-(butylsulfonylamino)-3-methylbutanoate has a molecular weight of 337.44 g/mol, XLogP of 1.23, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-1-oxopropan-2-yl) 2-(butylsulfonylamino)-3-methylbutanoate is sourced from PubChem (CID 163857453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).