sodium propylsulfamoylazanide

C3H9N2NaO2S — CID 127255792

IUPACsodium propylsulfamoylazanide
SMILESCCCNS([NH-])(=O)=O.[Na+]
InChIInChI=1S/C3H9N2O2S.Na/c1-2-3-5-8(4,6)7;/h5H,2-3H2,1H3,(H-,4,6,7);/q-1;+1
InChIKeyAESNHQGBBHYMGZ-UHFFFAOYSA-N
MW160.17 g/mol
LogP-2.71
Rot. Bonds3

About sodium propylsulfamoylazanide

sodium propylsulfamoylazanide (PubChem CID 127255792) has the molecular formula C3H9N2NaO2S and a molecular weight of 160.17 g/mol. Its IUPAC name is sodium propylsulfamoylazanide.

Molecular Properties

Compound Namesodium propylsulfamoylazanide
PubChem CID127255792
Molecular FormulaC3H9N2NaO2S
Molecular Weight160.17 g/mol
Exact Mass160.03
IUPAC Namesodium propylsulfamoylazanide
SMILESCCCNS([NH-])(=O)=O.[Na+]
InChIInChI=1S/C3H9N2O2S.Na/c1-2-3-5-8(4,6)7;/h5H,2-3H2,1H3,(H-,4,6,7);/q-1;+1
InChIKeyAESNHQGBBHYMGZ-UHFFFAOYSA-N
XLogP-2.71
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-2.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium propylsulfamoylazanide?
The IUPAC name of sodium propylsulfamoylazanide (CID 127255792) is sodium propylsulfamoylazanide.
What is the SMILES notation for sodium propylsulfamoylazanide?
The canonical SMILES for sodium propylsulfamoylazanide is CCCNS([NH-])(=O)=O.[Na+].
What is the InChIKey of sodium propylsulfamoylazanide?
The InChIKey is AESNHQGBBHYMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N2O2S.Na/c1-2-3-5-8(4,6)7;/h5H,2-3H2,1H3,(H-,4,6,7);/q-1;+1.
What are the key properties of sodium propylsulfamoylazanide?
sodium propylsulfamoylazanide has a molecular weight of 160.17 g/mol, XLogP of -2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium propylsulfamoylazanide is sourced from PubChem (CID 127255792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).