lithium;di(propan-2-yl)azanide;5-sulfamoylthiophene-2-carboxylic acid

C11H19LiN2O4S2 — CID 161134035

IUPAClithium;di(propan-2-yl)azanide;5-sulfamoylthiophene-2-carboxylic acid
SMILESCC(C)[N-]C(C)C.NS(=O)(=O)c1ccc(C(=O)O)s1.[Li+]
InChIInChI=1S/C6H14N.C5H5NO4S2.Li/c1-5(2)7-6(3)4;6-12(9,10)4-2-1-3(11-4)5(7)8;/h5-6H,1-4H3;1-2H,(H,7,8)(H2,6,9,10);/q-1;;+1
InChIKeyUMOGIDMEUWECSS-UHFFFAOYSA-N
MW314.36 g/mol
LogP-0.73
Rot. Bonds4

About lithium;di(propan-2-yl)azanide;5-sulfamoylthiophene-2-carboxylic acid

lithium;di(propan-2-yl)azanide;5-sulfamoylthiophene-2-carboxylic acid (PubChem CID 161134035) has the molecular formula C11H19LiN2O4S2 and a molecular weight of 314.36 g/mol. Its IUPAC name is lithium;di(propan-2-yl)azanide;5-sulfamoylthiophene-2-carboxylic acid.

Molecular Properties

Compound Namelithium;di(propan-2-yl)azanide;5-sulfamoylthiophene-2-carboxylic acid
PubChem CID161134035
Molecular FormulaC11H19LiN2O4S2
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Namelithium;di(propan-2-yl)azanide;5-sulfamoylthiophene-2-carboxylic acid
SMILESCC(C)[N-]C(C)C.NS(=O)(=O)c1ccc(C(=O)O)s1.[Li+]
InChIInChI=1S/C6H14N.C5H5NO4S2.Li/c1-5(2)7-6(3)4;6-12(9,10)4-2-1-3(11-4)5(7)8;/h5-6H,1-4H3;1-2H,(H,7,8)(H2,6,9,10);/q-1;;+1
InChIKeyUMOGIDMEUWECSS-UHFFFAOYSA-N
XLogP-0.73
TPSA111.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium;di(propan-2-yl)azanide;5-sulfamoylthiophene-2-carboxylic acid?
The IUPAC name of lithium;di(propan-2-yl)azanide;5-sulfamoylthiophene-2-carboxylic acid (CID 161134035) is lithium;di(propan-2-yl)azanide;5-sulfamoylthiophene-2-carboxylic acid.
What is the SMILES notation for lithium;di(propan-2-yl)azanide;5-sulfamoylthiophene-2-carboxylic acid?
The canonical SMILES for lithium;di(propan-2-yl)azanide;5-sulfamoylthiophene-2-carboxylic acid is CC(C)[N-]C(C)C.NS(=O)(=O)c1ccc(C(=O)O)s1.[Li+].
What is the InChIKey of lithium;di(propan-2-yl)azanide;5-sulfamoylthiophene-2-carboxylic acid?
The InChIKey is UMOGIDMEUWECSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N.C5H5NO4S2.Li/c1-5(2)7-6(3)4;6-12(9,10)4-2-1-3(11-4)5(7)8;/h5-6H,1-4H3;1-2H,(H,7,8)(H2,6,9,10);/q-1;;+1.
What are the key properties of lithium;di(propan-2-yl)azanide;5-sulfamoylthiophene-2-carboxylic acid?
lithium;di(propan-2-yl)azanide;5-sulfamoylthiophene-2-carboxylic acid has a molecular weight of 314.36 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;di(propan-2-yl)azanide;5-sulfamoylthiophene-2-carboxylic acid is sourced from PubChem (CID 161134035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).