2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine

C6H13F3N2O2S — CID 114807173

IUPAC2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine
SMILESCC(C)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-5(2)3-10-14(12,13)11-4-6(7,8)9/h5,10-11H,3-4H2,1-2H3
InChIKeySUECRADTZGSRLJ-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.63
Rot. Bonds5

About 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine

2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine (PubChem CID 114807173) has the molecular formula C6H13F3N2O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine
PubChem CID114807173
Molecular FormulaC6H13F3N2O2S
Molecular Weight234.24 g/mol
Exact Mass234.06
IUPAC Name2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine
SMILESCC(C)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-5(2)3-10-14(12,13)11-4-6(7,8)9/h5,10-11H,3-4H2,1-2H3
InChIKeySUECRADTZGSRLJ-UHFFFAOYSA-N
XLogP0.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine (CID 114807173) is 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine is CC(C)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine?
The InChIKey is SUECRADTZGSRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O2S/c1-5(2)3-10-14(12,13)11-4-6(7,8)9/h5,10-11H,3-4H2,1-2H3.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine?
2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine has a molecular weight of 234.24 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine is sourced from PubChem (CID 114807173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).