molecular hydrogen;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide

C4H10F3NO2S — CID 145044077

IUPACmolecular hydrogen;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)C(F)(F)F.[H][H]
InChIInChI=1S/C4H8F3NO2S.H2/c1-3(2)8-11(9,10)4(5,6)7;/h3,8H,1-2H3;1H
InChIKeyYMHYKWNFYVZBBA-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.08
Rot. Bonds2

About molecular hydrogen;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide

molecular hydrogen;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide (PubChem CID 145044077) has the molecular formula C4H10F3NO2S and a molecular weight of 193.19 g/mol. Its IUPAC name is molecular hydrogen;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Namemolecular hydrogen;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide
PubChem CID145044077
Molecular FormulaC4H10F3NO2S
Molecular Weight193.19 g/mol
Exact Mass193.04
IUPAC Namemolecular hydrogen;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)C(F)(F)F.[H][H]
InChIInChI=1S/C4H8F3NO2S.H2/c1-3(2)8-11(9,10)4(5,6)7;/h3,8H,1-2H3;1H
InChIKeyYMHYKWNFYVZBBA-UHFFFAOYSA-N
XLogP1.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(propan-2-yl)methanesulfonamide
CID 312702
N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide
CID 58427695
N-cyclopropyl-1,1-difluoromethanesulfonamide
CID 62734621
1,1,1-trifluoro-N-(3-methylbutan-2-yl)methanesulfonamide
CID 101913204
1,1,1-trifluoro-N-pentan-3-ylmethanesulfonamide
CID 166445234
1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide
CID 166446328
N-[(2R)-3,3-dimethylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 176436279
1,1,1-trifluoro-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 176436281
N-(3-aminopropyl)-1,1,1-trifluoromethanesulfonamide
CID 10998172
4-Trifluoromethanesulfonamido-1-butylamine
CID 11276038

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide?
The IUPAC name of molecular hydrogen;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide (CID 145044077) is molecular hydrogen;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for molecular hydrogen;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for molecular hydrogen;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide is CC(C)NS(=O)(=O)C(F)(F)F.[H][H].
What is the InChIKey of molecular hydrogen;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide?
The InChIKey is YMHYKWNFYVZBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO2S.H2/c1-3(2)8-11(9,10)4(5,6)7;/h3,8H,1-2H3;1H.
What are the key properties of molecular hydrogen;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide?
molecular hydrogen;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide has a molecular weight of 193.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 145044077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).