2-[fluoromethyl(sulfamoyl)amino]propane

C4H11FN2O2S — CID 164758048

IUPAC2-[fluoromethyl(sulfamoyl)amino]propane
SMILESCC(C)N(CF)S(N)(=O)=O
InChIInChI=1S/C4H11FN2O2S/c1-4(2)7(3-5)10(6,8)9/h4H,3H2,1-2H3,(H2,6,8,9)
InChIKeyCQJOWKLZLSMLHT-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.17
Rot. Bonds3

About 2-[fluoromethyl(sulfamoyl)amino]propane

2-[fluoromethyl(sulfamoyl)amino]propane (PubChem CID 164758048) has the molecular formula C4H11FN2O2S and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-[fluoromethyl(sulfamoyl)amino]propane.

Molecular Properties

Compound Name2-[fluoromethyl(sulfamoyl)amino]propane
PubChem CID164758048
Molecular FormulaC4H11FN2O2S
Molecular Weight170.21 g/mol
Exact Mass170.05
IUPAC Name2-[fluoromethyl(sulfamoyl)amino]propane
SMILESCC(C)N(CF)S(N)(=O)=O
InChIInChI=1S/C4H11FN2O2S/c1-4(2)7(3-5)10(6,8)9/h4H,3H2,1-2H3,(H2,6,8,9)
InChIKeyCQJOWKLZLSMLHT-UHFFFAOYSA-N
XLogP-0.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoromethyl(sulfamoyl)amino]propane?
The IUPAC name of 2-[fluoromethyl(sulfamoyl)amino]propane (CID 164758048) is 2-[fluoromethyl(sulfamoyl)amino]propane.
What is the SMILES notation for 2-[fluoromethyl(sulfamoyl)amino]propane?
The canonical SMILES for 2-[fluoromethyl(sulfamoyl)amino]propane is CC(C)N(CF)S(N)(=O)=O.
What is the InChIKey of 2-[fluoromethyl(sulfamoyl)amino]propane?
The InChIKey is CQJOWKLZLSMLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11FN2O2S/c1-4(2)7(3-5)10(6,8)9/h4H,3H2,1-2H3,(H2,6,8,9).
What are the key properties of 2-[fluoromethyl(sulfamoyl)amino]propane?
2-[fluoromethyl(sulfamoyl)amino]propane has a molecular weight of 170.21 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoromethyl(sulfamoyl)amino]propane is sourced from PubChem (CID 164758048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).