N-methyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide

C9H19F3N2O2S — CID 88991597

IUPACN-methyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide
SMILESCC(C)N(CCN(C)S(C)(=O)=O)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O2S/c1-8(2)14(7-9(10,11)12)6-5-13(3)17(4,15)16/h8H,5-7H2,1-4H3
InChIKeyVVKRYUWYTYHXJT-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.15
Rot. Bonds6

About N-methyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide

N-methyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide (PubChem CID 88991597) has the molecular formula C9H19F3N2O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-methyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide
PubChem CID88991597
Molecular FormulaC9H19F3N2O2S
Molecular Weight276.32 g/mol
Exact Mass276.11
IUPAC NameN-methyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide
SMILESCC(C)N(CCN(C)S(C)(=O)=O)CC(F)(F)F
InChIInChI=1S/C9H19F3N2O2S/c1-8(2)14(7-9(10,11)12)6-5-13(3)17(4,15)16/h8H,5-7H2,1-4H3
InChIKeyVVKRYUWYTYHXJT-UHFFFAOYSA-N
XLogP1.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide (CID 88991597) is N-methyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide is CC(C)N(CCN(C)S(C)(=O)=O)CC(F)(F)F.
What is the InChIKey of N-methyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide?
The InChIKey is VVKRYUWYTYHXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2S/c1-8(2)14(7-9(10,11)12)6-5-13(3)17(4,15)16/h8H,5-7H2,1-4H3.
What are the key properties of N-methyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide?
N-methyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 88991597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).