N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide

C7H14F3NO2S — CID 60766791

IUPACN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C7H14F3NO2S/c1-6(2)4-11(14(3,12)13)5-7(8,9)10/h6H,4-5H2,1-3H3
InChIKeyNIQQZKNMIMATRB-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.47
Rot. Bonds4

About N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 60766791) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID60766791
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C7H14F3NO2S/c1-6(2)4-11(14(3,12)13)5-7(8,9)10/h6H,4-5H2,1-3H3
InChIKeyNIQQZKNMIMATRB-UHFFFAOYSA-N
XLogP1.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 60766791) is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide is CC(C)CN(CC(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is NIQQZKNMIMATRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-6(2)4-11(14(3,12)13)5-7(8,9)10/h6H,4-5H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 233.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 60766791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).