bis(butanediamide);sulfur dioxide

C8H16N4O6S — CID 175182532

IUPACbis(butanediamide);sulfur dioxide
SMILESNC(=O)CCC(N)=O.NC(=O)CCC(N)=O.O=S=O
InChIInChI=1S/2C4H8N2O2.O2S/c2*5-3(7)1-2-4(6)8;1-3-2/h2*1-2H2,(H2,5,7)(H2,6,8);
InChIKeyOUNLRIADTBXPNG-UHFFFAOYSA-N
MW296.31 g/mol
LogP-3.20
Rot. Bonds6

About bis(butanediamide);sulfur dioxide

bis(butanediamide);sulfur dioxide (PubChem CID 175182532) has the molecular formula C8H16N4O6S and a molecular weight of 296.31 g/mol. Its IUPAC name is bis(butanediamide);sulfur dioxide.

Molecular Properties

Compound Namebis(butanediamide);sulfur dioxide
PubChem CID175182532
Molecular FormulaC8H16N4O6S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Namebis(butanediamide);sulfur dioxide
SMILESNC(=O)CCC(N)=O.NC(=O)CCC(N)=O.O=S=O
InChIInChI=1S/2C4H8N2O2.O2S/c2*5-3(7)1-2-4(6)8;1-3-2/h2*1-2H2,(H2,5,7)(H2,6,8);
InChIKeyOUNLRIADTBXPNG-UHFFFAOYSA-N
XLogP-3.20
TPSA206.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 5-3.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

butanediamide;molybdenum
CID 161333962
butanediamide;hydrobromide
CID 158484059
butanediamide;ethane;molecular hydrogen
CID 144732954
docosanediamide;hexacosanediamide
CID 129179979
hexanediamide;hydrazine
CID 160978463
dodecanediamide;nonanediamide
CID 175017820
pentadecanediamide
CID 87429217
nonatetracontanediamide
CID 162734608
hexanediamide;hydrazine
CID 160854105
4-amino-4-oxobutanoic acid;molybdenum
CID 159348588
4-oxopentanamide;zirconium
CID 174464202
4-oxopentanamide;titanium
CID 174475766

Frequently Asked Questions

What is the IUPAC name of bis(butanediamide);sulfur dioxide?
The IUPAC name of bis(butanediamide);sulfur dioxide (CID 175182532) is bis(butanediamide);sulfur dioxide.
What is the SMILES notation for bis(butanediamide);sulfur dioxide?
The canonical SMILES for bis(butanediamide);sulfur dioxide is NC(=O)CCC(N)=O.NC(=O)CCC(N)=O.O=S=O.
What is the InChIKey of bis(butanediamide);sulfur dioxide?
The InChIKey is OUNLRIADTBXPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8N2O2.O2S/c2*5-3(7)1-2-4(6)8;1-3-2/h2*1-2H2,(H2,5,7)(H2,6,8);.
What are the key properties of bis(butanediamide);sulfur dioxide?
bis(butanediamide);sulfur dioxide has a molecular weight of 296.31 g/mol, XLogP of -3.20, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butanediamide);sulfur dioxide is sourced from PubChem (CID 175182532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).