1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-3-hydroxypropane

C5H13F2N3O3S — CID 167049524

IUPAC1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-3-hydroxypropane
SMILESCN(C)N(CC(F)(F)CO)S(N)(=O)=O
InChIInChI=1S/C5H13F2N3O3S/c1-9(2)10(14(8,12)13)3-5(6,7)4-11/h11H,3-4H2,1-2H3,(H2,8,12,13)
InChIKeyPKAGEAQNYUHOEJ-UHFFFAOYSA-N
MW233.24 g/mol
LogP-1.40
Rot. Bonds5

About 1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-3-hydroxypropane

1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-3-hydroxypropane (PubChem CID 167049524) has the molecular formula C5H13F2N3O3S and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-3-hydroxypropane.

Molecular Properties

Compound Name1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-3-hydroxypropane
PubChem CID167049524
Molecular FormulaC5H13F2N3O3S
Molecular Weight233.24 g/mol
Exact Mass233.06
IUPAC Name1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-3-hydroxypropane
SMILESCN(C)N(CC(F)(F)CO)S(N)(=O)=O
InChIInChI=1S/C5H13F2N3O3S/c1-9(2)10(14(8,12)13)3-5(6,7)4-11/h11H,3-4H2,1-2H3,(H2,8,12,13)
InChIKeyPKAGEAQNYUHOEJ-UHFFFAOYSA-N
XLogP-1.40
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 5-1.40
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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Related Compounds

2,2-Difluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane
CID 167049004
4-[Dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-3-hydroxybutane
CID 167049429
3-[Dimethylamino(sulfamoyl)amino]-1,1,1-trifluoro-2-hydroxypropane
CID 167049522
1-[Dimethylamino(sulfamoyl)amino]-2,2-difluoro-4-hydroxybutane
CID 167049523
3-[Methyl-[methyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propan-1-ol
CID 65728824
3-[Methyl-[methyl(3,3,3-trifluoropropyl)sulfamoyl]amino]propan-1-ol
CID 65734152
1,1,1-Trifluoro-3-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propane
CID 65738594
1-Hydroxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
CID 65744042
1-(Dimethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane
CID 104858702
1-(Diethylsulfamoylamino)-2,2-difluoro-3-hydroxypropane
CID 104858823
2,2-Difluoro-3-(methylsulfamoylamino)propan-1-ol
CID 106170334
1,1,2,2-Tetrafluoro-3-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propane
CID 106295813

Frequently Asked Questions

What is the IUPAC name of 1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-3-hydroxypropane?
The IUPAC name of 1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-3-hydroxypropane (CID 167049524) is 1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-3-hydroxypropane.
What is the SMILES notation for 1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-3-hydroxypropane?
The canonical SMILES for 1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-3-hydroxypropane is CN(C)N(CC(F)(F)CO)S(N)(=O)=O.
What is the InChIKey of 1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-3-hydroxypropane?
The InChIKey is PKAGEAQNYUHOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13F2N3O3S/c1-9(2)10(14(8,12)13)3-5(6,7)4-11/h11H,3-4H2,1-2H3,(H2,8,12,13).
What are the key properties of 1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-3-hydroxypropane?
1-[dimethylamino(sulfamoyl)amino]-2,2-difluoro-3-hydroxypropane has a molecular weight of 233.24 g/mol, XLogP of -1.40, 5 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-3-hydroxypropane is sourced from PubChem (CID 167049524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).