[1-amino-3-(pyridine-3-carbonylsulfamoyl)propan-2-yl] acetate

C11H15N3O5S — CID 141388144

IUPAC[1-amino-3-(pyridine-3-carbonylsulfamoyl)propan-2-yl] acetate
SMILESCC(=O)OC(CN)CS(=O)(=O)NC(=O)c1cccnc1
InChIInChI=1S/C11H15N3O5S/c1-8(15)19-10(5-12)7-20(17,18)14-11(16)9-3-2-4-13-6-9/h2-4,6,10H,5,7,12H2,1H3,(H,14,16)
InChIKeyIJQKCUKJDLLJEO-UHFFFAOYSA-N
MW301.32 g/mol
LogP-0.97
Rot. Bonds6

About [1-amino-3-(pyridine-3-carbonylsulfamoyl)propan-2-yl] acetate

[1-amino-3-(pyridine-3-carbonylsulfamoyl)propan-2-yl] acetate (PubChem CID 141388144) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is [1-amino-3-(pyridine-3-carbonylsulfamoyl)propan-2-yl] acetate.

Molecular Properties

Compound Name[1-amino-3-(pyridine-3-carbonylsulfamoyl)propan-2-yl] acetate
PubChem CID141388144
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name[1-amino-3-(pyridine-3-carbonylsulfamoyl)propan-2-yl] acetate
SMILESCC(=O)OC(CN)CS(=O)(=O)NC(=O)c1cccnc1
InChIInChI=1S/C11H15N3O5S/c1-8(15)19-10(5-12)7-20(17,18)14-11(16)9-3-2-4-13-6-9/h2-4,6,10H,5,7,12H2,1H3,(H,14,16)
InChIKeyIJQKCUKJDLLJEO-UHFFFAOYSA-N
XLogP-0.97
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(pyridine-3-carbonylsulfamoyl)propan-2-yl] acetate?
The IUPAC name of [1-amino-3-(pyridine-3-carbonylsulfamoyl)propan-2-yl] acetate (CID 141388144) is [1-amino-3-(pyridine-3-carbonylsulfamoyl)propan-2-yl] acetate.
What is the SMILES notation for [1-amino-3-(pyridine-3-carbonylsulfamoyl)propan-2-yl] acetate?
The canonical SMILES for [1-amino-3-(pyridine-3-carbonylsulfamoyl)propan-2-yl] acetate is CC(=O)OC(CN)CS(=O)(=O)NC(=O)c1cccnc1.
What is the InChIKey of [1-amino-3-(pyridine-3-carbonylsulfamoyl)propan-2-yl] acetate?
The InChIKey is IJQKCUKJDLLJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-8(15)19-10(5-12)7-20(17,18)14-11(16)9-3-2-4-13-6-9/h2-4,6,10H,5,7,12H2,1H3,(H,14,16).
What are the key properties of [1-amino-3-(pyridine-3-carbonylsulfamoyl)propan-2-yl] acetate?
[1-amino-3-(pyridine-3-carbonylsulfamoyl)propan-2-yl] acetate has a molecular weight of 301.32 g/mol, XLogP of -0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(pyridine-3-carbonylsulfamoyl)propan-2-yl] acetate is sourced from PubChem (CID 141388144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).