1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-4-hydroxybutane

C6H15F2N3O3S — CID 167049523

IUPAC1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-4-hydroxybutane
SMILESCN(C)N(CC(F)(F)CCO)S(N)(=O)=O
InChIInChI=1S/C6H15F2N3O3S/c1-10(2)11(15(9,13)14)5-6(7,8)3-4-12/h12H,3-5H2,1-2H3,(H2,9,13,14)
InChIKeyISSNXKJNDHGXBJ-UHFFFAOYSA-N
MW247.27 g/mol
LogP-1.01
Rot. Bonds6

About 1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-4-hydroxybutane

1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-4-hydroxybutane (PubChem CID 167049523) has the molecular formula C6H15F2N3O3S and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-4-hydroxybutane.

Molecular Properties

Compound Name1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-4-hydroxybutane
PubChem CID167049523
Molecular FormulaC6H15F2N3O3S
Molecular Weight247.27 g/mol
Exact Mass247.08
IUPAC Name1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-4-hydroxybutane
SMILESCN(C)N(CC(F)(F)CCO)S(N)(=O)=O
InChIInChI=1S/C6H15F2N3O3S/c1-10(2)11(15(9,13)14)5-6(7,8)3-4-12/h12H,3-5H2,1-2H3,(H2,9,13,14)
InChIKeyISSNXKJNDHGXBJ-UHFFFAOYSA-N
XLogP-1.01
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-4-hydroxybutane?
The IUPAC name of 1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-4-hydroxybutane (CID 167049523) is 1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-4-hydroxybutane.
What is the SMILES notation for 1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-4-hydroxybutane?
The canonical SMILES for 1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-4-hydroxybutane is CN(C)N(CC(F)(F)CCO)S(N)(=O)=O.
What is the InChIKey of 1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-4-hydroxybutane?
The InChIKey is ISSNXKJNDHGXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15F2N3O3S/c1-10(2)11(15(9,13)14)5-6(7,8)3-4-12/h12H,3-5H2,1-2H3,(H2,9,13,14).
What are the key properties of 1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-4-hydroxybutane?
1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-4-hydroxybutane has a molecular weight of 247.27 g/mol, XLogP of -1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-4-hydroxybutane is sourced from PubChem (CID 167049523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).