2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

C5H11F3N2O2S — CID 130236498

IUPAC2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCC(N)CS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-4(9)2-13(11,12)10-3-5(6,7)8/h4,10H,2-3,9H2,1H3
InChIKeyQMXSOZGXWUJIGK-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.18
Rot. Bonds4

About 2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 130236498) has the molecular formula C5H11F3N2O2S and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID130236498
Molecular FormulaC5H11F3N2O2S
Molecular Weight220.22 g/mol
Exact Mass220.05
IUPAC Name2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCC(N)CS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H11F3N2O2S/c1-4(9)2-13(11,12)10-3-5(6,7)8/h4,10H,2-3,9H2,1H3
InChIKeyQMXSOZGXWUJIGK-UHFFFAOYSA-N
XLogP-0.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 130236498) is 2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for 2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for 2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is CC(N)CS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is QMXSOZGXWUJIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O2S/c1-4(9)2-13(11,12)10-3-5(6,7)8/h4,10H,2-3,9H2,1H3.
What are the key properties of 2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 220.22 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 130236498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).