N-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide

C6H12F3NO2S — CID 64586295

IUPACN-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCC(C)N(CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C6H12F3NO2S/c1-5(2)10(13(3,11)12)4-6(7,8)9/h5H,4H2,1-3H3
InChIKeySWDWBKOTBIJNAN-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.22
Rot. Bonds3

About N-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 64586295) has the molecular formula C6H12F3NO2S and a molecular weight of 219.23 g/mol. Its IUPAC name is N-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID64586295
Molecular FormulaC6H12F3NO2S
Molecular Weight219.23 g/mol
Exact Mass219.05
IUPAC NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCC(C)N(CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C6H12F3NO2S/c1-5(2)10(13(3,11)12)4-6(7,8)9/h5H,4H2,1-3H3
InChIKeySWDWBKOTBIJNAN-UHFFFAOYSA-N
XLogP1.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

N,N-Diisopropylmethanesulfonamide
CID 284325
1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide
CID 14663454
N,N-Diethyl-1,1,1-trifluoromethanesulfonamide
CID 17751979
N-diethyldifluoromethanesulfonamide
CID 58436046
1,1,2,2,3,3,4,4,4-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide
CID 101221539
Ethyl-methyl-di(propan-2-yl)azanium;trifluoromethanesulfonate
CID 11300844
1,1,1-trifluoro-N,N-di(propan-2-yl)methanesulfonamide
CID 17751980
N-(2,2-difluoroethyl)-N-propan-2-ylmethanesulfonamide
CID 57908245
1,1-difluoro-N,N-di(propan-2-yl)ethanesulfonamide
CID 58122765
Butan-2-yl(trifluoromethylsulfonyl)azanide
CID 58427691
1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide
CID 58435937
1,1-difluoro-1-oxidoperoxysulfanyl-N,N-di(propan-2-yl)methanesulfonamide
CID 58962012

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 64586295) is N-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide is CC(C)N(CC(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is SWDWBKOTBIJNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2S/c1-5(2)10(13(3,11)12)4-6(7,8)9/h5H,4H2,1-3H3.
What are the key properties of N-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 219.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 64586295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).