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

C6H12F3NO2S — CID 61383793

IUPACN-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-3-4-13(11,12)10(2)5-6(7,8)9/h3-5H2,1-2H3
InChIKeyAHEGIYHBSMVCTD-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.22
Rot. Bonds4

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

N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 61383793) has the molecular formula C6H12F3NO2S and a molecular weight of 219.23 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID61383793
Molecular FormulaC6H12F3NO2S
Molecular Weight219.23 g/mol
Exact Mass219.05
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-3-4-13(11,12)10(2)5-6(7,8)9/h3-5H2,1-2H3
InChIKeyAHEGIYHBSMVCTD-UHFFFAOYSA-N
XLogP1.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 61383793) is N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is CCCS(=O)(=O)N(C)CC(F)(F)F.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is AHEGIYHBSMVCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2S/c1-3-4-13(11,12)10(2)5-6(7,8)9/h3-5H2,1-2H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 219.23 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 61383793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).