1-hydroxy-1-[1-hydroxybutyl(sulfamoyl)amino]butane

C8H20N2O4S — CID 87205333

IUPAC1-hydroxy-1-[1-hydroxybutyl(sulfamoyl)amino]butane
SMILESCCCC(O)N(C(O)CCC)S(N)(=O)=O
InChIInChI=1S/C8H20N2O4S/c1-3-5-7(11)10(15(9,13)14)8(12)6-4-2/h7-8,11-12H,3-6H2,1-2H3,(H2,9,13,14)
InChIKeyUNWPBEKTCNOMFX-UHFFFAOYSA-N
MW240.32 g/mol
LogP-0.27
Rot. Bonds7

About 1-hydroxy-1-[1-hydroxybutyl(sulfamoyl)amino]butane

1-hydroxy-1-[1-hydroxybutyl(sulfamoyl)amino]butane (PubChem CID 87205333) has the molecular formula C8H20N2O4S and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-hydroxy-1-[1-hydroxybutyl(sulfamoyl)amino]butane.

Molecular Properties

Compound Name1-hydroxy-1-[1-hydroxybutyl(sulfamoyl)amino]butane
PubChem CID87205333
Molecular FormulaC8H20N2O4S
Molecular Weight240.32 g/mol
Exact Mass240.11
IUPAC Name1-hydroxy-1-[1-hydroxybutyl(sulfamoyl)amino]butane
SMILESCCCC(O)N(C(O)CCC)S(N)(=O)=O
InChIInChI=1S/C8H20N2O4S/c1-3-5-7(11)10(15(9,13)14)8(12)6-4-2/h7-8,11-12H,3-6H2,1-2H3,(H2,9,13,14)
InChIKeyUNWPBEKTCNOMFX-UHFFFAOYSA-N
XLogP-0.27
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[1-hydroxybutyl(sulfamoyl)amino]butane?
The IUPAC name of 1-hydroxy-1-[1-hydroxybutyl(sulfamoyl)amino]butane (CID 87205333) is 1-hydroxy-1-[1-hydroxybutyl(sulfamoyl)amino]butane.
What is the SMILES notation for 1-hydroxy-1-[1-hydroxybutyl(sulfamoyl)amino]butane?
The canonical SMILES for 1-hydroxy-1-[1-hydroxybutyl(sulfamoyl)amino]butane is CCCC(O)N(C(O)CCC)S(N)(=O)=O.
What is the InChIKey of 1-hydroxy-1-[1-hydroxybutyl(sulfamoyl)amino]butane?
The InChIKey is UNWPBEKTCNOMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O4S/c1-3-5-7(11)10(15(9,13)14)8(12)6-4-2/h7-8,11-12H,3-6H2,1-2H3,(H2,9,13,14).
What are the key properties of 1-hydroxy-1-[1-hydroxybutyl(sulfamoyl)amino]butane?
1-hydroxy-1-[1-hydroxybutyl(sulfamoyl)amino]butane has a molecular weight of 240.32 g/mol, XLogP of -0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-hydroxybutyl(sulfamoyl)amino]butane is sourced from PubChem (CID 87205333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).