4-hydroxypent-4-ene-1-sulfonamide;3-sulfamoylpropanoic acid

C8H18N2O7S2 — CID 158020559

IUPAC4-hydroxypent-4-ene-1-sulfonamide;3-sulfamoylpropanoic acid
SMILESC=C(O)CCCS(N)(=O)=O.NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C5H11NO3S.C3H7NO4S/c1-5(7)3-2-4-10(6,8)9;4-9(7,8)2-1-3(5)6/h7H,1-4H2,(H2,6,8,9);1-2H2,(H,5,6)(H2,4,7,8)
InChIKeyFFZWNOSOWWOADB-UHFFFAOYSA-N
MW318.37 g/mol
LogP-1.12
Rot. Bonds7

About 4-hydroxypent-4-ene-1-sulfonamide;3-sulfamoylpropanoic acid

4-hydroxypent-4-ene-1-sulfonamide;3-sulfamoylpropanoic acid (PubChem CID 158020559) has the molecular formula C8H18N2O7S2 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-hydroxypent-4-ene-1-sulfonamide;3-sulfamoylpropanoic acid.

Molecular Properties

Compound Name4-hydroxypent-4-ene-1-sulfonamide;3-sulfamoylpropanoic acid
PubChem CID158020559
Molecular FormulaC8H18N2O7S2
Molecular Weight318.37 g/mol
Exact Mass318.06
IUPAC Name4-hydroxypent-4-ene-1-sulfonamide;3-sulfamoylpropanoic acid
SMILESC=C(O)CCCS(N)(=O)=O.NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C5H11NO3S.C3H7NO4S/c1-5(7)3-2-4-10(6,8)9;4-9(7,8)2-1-3(5)6/h7H,1-4H2,(H2,6,8,9);1-2H2,(H,5,6)(H2,4,7,8)
InChIKeyFFZWNOSOWWOADB-UHFFFAOYSA-N
XLogP-1.12
TPSA177.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

11-hydroxydodec-11-enoic acid
CID 23566131
4-(2-sulfamoylethylamino)butanoic acid
CID 114385317
4,4-dimethyl-6-sulfamoylhexanoic acid
CID 10609142
propane-1,3-disulfonamide
CID 22153832
4-[methyl(2-sulfamoylethyl)amino]butanoic acid
CID 114385348
ethyl 4-sulfamoylbutanoate
CID 61374945
4-hydroxypent-4-enoic acid
CID 19591824
dodecane-1,12-disulfonamide
CID 57288842
3-oxo-3-(3-sulfamoylpropylamino)propanoic acid
CID 62230975
4-hydroxybutane-1-sulfonamide
CID 21436386
5-(2-carboxyethylsulfonyl)pentanoic acid
CID 117098076
4,4-dimethyl-6-(2-sulfamoylethylamino)hexanoic acid
CID 114385391

Frequently Asked Questions

What is the IUPAC name of 4-hydroxypent-4-ene-1-sulfonamide;3-sulfamoylpropanoic acid?
The IUPAC name of 4-hydroxypent-4-ene-1-sulfonamide;3-sulfamoylpropanoic acid (CID 158020559) is 4-hydroxypent-4-ene-1-sulfonamide;3-sulfamoylpropanoic acid.
What is the SMILES notation for 4-hydroxypent-4-ene-1-sulfonamide;3-sulfamoylpropanoic acid?
The canonical SMILES for 4-hydroxypent-4-ene-1-sulfonamide;3-sulfamoylpropanoic acid is C=C(O)CCCS(N)(=O)=O.NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 4-hydroxypent-4-ene-1-sulfonamide;3-sulfamoylpropanoic acid?
The InChIKey is FFZWNOSOWWOADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S.C3H7NO4S/c1-5(7)3-2-4-10(6,8)9;4-9(7,8)2-1-3(5)6/h7H,1-4H2,(H2,6,8,9);1-2H2,(H,5,6)(H2,4,7,8).
What are the key properties of 4-hydroxypent-4-ene-1-sulfonamide;3-sulfamoylpropanoic acid?
4-hydroxypent-4-ene-1-sulfonamide;3-sulfamoylpropanoic acid has a molecular weight of 318.37 g/mol, XLogP of -1.12, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypent-4-ene-1-sulfonamide;3-sulfamoylpropanoic acid is sourced from PubChem (CID 158020559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).