1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine

C13H19F3N2O3S — CID 118869781

IUPAC1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine
SMILESCOc1ccc(CN(C)S(C)(=O)=NCC(F)(F)F)c(OC)c1
InChIInChI=1S/C13H19F3N2O3S/c1-18(22(4,19)17-9-13(14,15)16)8-10-5-6-11(20-2)7-12(10)21-3/h5-7H,8-9H2,1-4H3
InChIKeyOQIHMXXVGBMEPT-UHFFFAOYSA-N
MW340.37 g/mol
LogP2.71
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine

1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine (PubChem CID 118869781) has the molecular formula C13H19F3N2O3S and a molecular weight of 340.37 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine
PubChem CID118869781
Molecular FormulaC13H19F3N2O3S
Molecular Weight340.37 g/mol
Exact Mass340.11
IUPAC Name1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine
SMILESCOc1ccc(CN(C)S(C)(=O)=NCC(F)(F)F)c(OC)c1
InChIInChI=1S/C13H19F3N2O3S/c1-18(22(4,19)17-9-13(14,15)16)8-10-5-6-11(20-2)7-12(10)21-3/h5-7H,8-9H2,1-4H3
InChIKeyOQIHMXXVGBMEPT-UHFFFAOYSA-N
XLogP2.71
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide
CID 7937784
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 4885068
4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30329505
N-[(2,4-dimethoxyphenyl)methyl]-N-(S-methyl-N-prop-2-enylsulfonimidoyl)prop-2-en-1-amine
CID 125473512
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide
CID 175393000
1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene
CID 175463366
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine
CID 117044148
1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide
CID 165442745

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine (CID 118869781) is 1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine is COc1ccc(CN(C)S(C)(=O)=NCC(F)(F)F)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine?
The InChIKey is OQIHMXXVGBMEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3S/c1-18(22(4,19)17-9-13(14,15)16)8-10-5-6-11(20-2)7-12(10)21-3/h5-7H,8-9H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine?
1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine has a molecular weight of 340.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine is sourced from PubChem (CID 118869781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).