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

C15H31F3N2O2S — CID 118241725

IUPACN-[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)NS(C)(=O)=O
InChIInChI=1S/C15H31F3N2O2S/c1-7-8-13(9-14(4,5)19-23(6,21)22)10-20(12(2)3)11-15(16,17)18/h12-13,19H,7-11H2,1-6H3
InChIKeyVESKUCCDPCXXNX-UHFFFAOYSA-N
MW360.49 g/mol
LogP3.39
Rot. Bonds10

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

N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide (PubChem CID 118241725) has the molecular formula C15H31F3N2O2S and a molecular weight of 360.49 g/mol. Its IUPAC name is N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide
PubChem CID118241725
Molecular FormulaC15H31F3N2O2S
Molecular Weight360.49 g/mol
Exact Mass360.21
IUPAC NameN-[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)NS(C)(=O)=O
InChIInChI=1S/C15H31F3N2O2S/c1-7-8-13(9-14(4,5)19-23(6,21)22)10-20(12(2)3)11-15(16,17)18/h12-13,19H,7-11H2,1-6H3
InChIKeyVESKUCCDPCXXNX-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-methyl-4-[[propan-2-yl(trifluoromethyl)amino]methyl]hexan-2-yl]methanesulfonamide
CID 118241721
N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]methanesulfonamide
CID 118241731
N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
CID 118241793
N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylhexan-2-yl]-N-methylmethanesulfonamide
CID 118241796
N-[4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide
CID 118241826
N-[4-[[2-fluoroethyl(propan-2-yl)amino]methyl]-2-methylheptan-2-yl]-N-methylmethanesulfonamide
CID 118241834
N-methyl-N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide
CID 118241903
N-[3,5-dimethyl-6-[propan-2-yl(trifluoromethyl)amino]hexan-3-yl]-N-methylmethanesulfonamide
CID 118241947
2-Ethylhexyl-di(propan-2-yl)azanium;trifluoromethanesulfonate
CID 141718810
N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide
CID 64755484
N-[2-methyl-1-[[2-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide
CID 64758288
N-[2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]methanesulfonamide
CID 64759829

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide (CID 118241725) is N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide?
The canonical SMILES for 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)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide?
The InChIKey is VESKUCCDPCXXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F3N2O2S/c1-7-8-13(9-14(4,5)19-23(6,21)22)10-20(12(2)3)11-15(16,17)18/h12-13,19H,7-11H2,1-6H3.
What are the key properties of N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide?
N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide has a molecular weight of 360.49 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]heptan-2-yl]methanesulfonamide is sourced from PubChem (CID 118241725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).