N-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide

C16H33F3N2O2S — CID 118241903

IUPACN-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide
SMILESCCCC(CN(CC(F)(F)F)C(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C16H33F3N2O2S/c1-8-9-14(10-15(4,5)20(6)24(7,22)23)11-21(13(2)3)12-16(17,18)19/h13-14H,8-12H2,1-7H3
InChIKeyVBYCGBDFBIFHQG-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.74
Rot. Bonds10

About N-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide

N-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide (PubChem CID 118241903) has the molecular formula C16H33F3N2O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide
PubChem CID118241903
Molecular FormulaC16H33F3N2O2S
Molecular Weight374.51 g/mol
Exact Mass374.22
IUPAC NameN-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide
SMILESCCCC(CN(CC(F)(F)F)C(C)C)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C16H33F3N2O2S/c1-8-9-14(10-15(4,5)20(6)24(7,22)23)11-21(13(2)3)12-16(17,18)19/h13-14H,8-12H2,1-7H3
InChIKeyVBYCGBDFBIFHQG-UHFFFAOYSA-N
XLogP3.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.74
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-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide (CID 118241903) is N-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide is CCCC(CN(CC(F)(F)F)C(C)C)CC(C)(C)N(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide?
The InChIKey is VBYCGBDFBIFHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33F3N2O2S/c1-8-9-14(10-15(4,5)20(6)24(7,22)23)11-21(13(2)3)12-16(17,18)19/h13-14H,8-12H2,1-7H3.
What are the key properties of N-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide?
N-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 3.74, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide is sourced from PubChem (CID 118241903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).