methyl (2S)-3-methyl-2-(pyridin-2-ylsulfonylamino)butanoate

C11H16N2O4S — CID 122381292

IUPACmethyl (2S)-3-methyl-2-(pyridin-2-ylsulfonylamino)butanoate
SMILESCOC(=O)[C@@H](NS(=O)(=O)c1ccccn1)C(C)C
InChIInChI=1S/C11H16N2O4S/c1-8(2)10(11(14)17-3)13-18(15,16)9-6-4-5-7-12-9/h4-8,10,13H,1-3H3/t10-/m0/s1
InChIKeyVPLMWWPJKGDMEM-JTQLQIEISA-N
MW272.33 g/mol
LogP0.56
Rot. Bonds5

About methyl (2S)-3-methyl-2-(pyridin-2-ylsulfonylamino)butanoate

methyl (2S)-3-methyl-2-(pyridin-2-ylsulfonylamino)butanoate (PubChem CID 122381292) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl (2S)-3-methyl-2-(pyridin-2-ylsulfonylamino)butanoate.

Molecular Properties

Compound Namemethyl (2S)-3-methyl-2-(pyridin-2-ylsulfonylamino)butanoate
PubChem CID122381292
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl (2S)-3-methyl-2-(pyridin-2-ylsulfonylamino)butanoate
SMILESCOC(=O)[C@@H](NS(=O)(=O)c1ccccn1)C(C)C
InChIInChI=1S/C11H16N2O4S/c1-8(2)10(11(14)17-3)13-18(15,16)9-6-4-5-7-12-9/h4-8,10,13H,1-3H3/t10-/m0/s1
InChIKeyVPLMWWPJKGDMEM-JTQLQIEISA-N
XLogP0.56
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-methyl-2-(pyridin-2-ylsulfonylamino)butanoate?
The IUPAC name of methyl (2S)-3-methyl-2-(pyridin-2-ylsulfonylamino)butanoate (CID 122381292) is methyl (2S)-3-methyl-2-(pyridin-2-ylsulfonylamino)butanoate.
What is the SMILES notation for methyl (2S)-3-methyl-2-(pyridin-2-ylsulfonylamino)butanoate?
The canonical SMILES for methyl (2S)-3-methyl-2-(pyridin-2-ylsulfonylamino)butanoate is COC(=O)[C@@H](NS(=O)(=O)c1ccccn1)C(C)C.
What is the InChIKey of methyl (2S)-3-methyl-2-(pyridin-2-ylsulfonylamino)butanoate?
The InChIKey is VPLMWWPJKGDMEM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8(2)10(11(14)17-3)13-18(15,16)9-6-4-5-7-12-9/h4-8,10,13H,1-3H3/t10-/m0/s1.
What are the key properties of methyl (2S)-3-methyl-2-(pyridin-2-ylsulfonylamino)butanoate?
methyl (2S)-3-methyl-2-(pyridin-2-ylsulfonylamino)butanoate has a molecular weight of 272.33 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-methyl-2-(pyridin-2-ylsulfonylamino)butanoate is sourced from PubChem (CID 122381292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).