2-[methyl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C6H12F3N3O4S — CID 167049416

IUPAC2-[methyl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCN(CC(=O)NCC(O)C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C6H12F3N3O4S/c1-12(17(10,15)16)3-5(14)11-2-4(13)6(7,8)9/h4,13H,2-3H2,1H3,(H,11,14)(H2,10,15,16)
InChIKeyHCWSHCNQKQAXLR-UHFFFAOYSA-N
MW279.24 g/mol
LogP-1.84
Rot. Bonds5

About 2-[methyl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-[methyl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 167049416) has the molecular formula C6H12F3N3O4S and a molecular weight of 279.24 g/mol. Its IUPAC name is 2-[methyl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[methyl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID167049416
Molecular FormulaC6H12F3N3O4S
Molecular Weight279.24 g/mol
Exact Mass279.05
IUPAC Name2-[methyl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCN(CC(=O)NCC(O)C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C6H12F3N3O4S/c1-12(17(10,15)16)3-5(14)11-2-4(13)6(7,8)9/h4,13H,2-3H2,1H3,(H,11,14)(H2,10,15,16)
InChIKeyHCWSHCNQKQAXLR-UHFFFAOYSA-N
XLogP-1.84
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-[methyl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 167049416) is 2-[methyl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[methyl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-[methyl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is CN(CC(=O)NCC(O)C(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 2-[methyl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is HCWSHCNQKQAXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O4S/c1-12(17(10,15)16)3-5(14)11-2-4(13)6(7,8)9/h4,13H,2-3H2,1H3,(H,11,14)(H2,10,15,16).
What are the key properties of 2-[methyl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-[methyl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 279.24 g/mol, XLogP of -1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(sulfamoyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 167049416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).