N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

C14H21F3N2O2S — CID 119991751

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2O2S/c1-13(2,9-18)10-19(3)22(20,21)8-11-5-4-6-12(7-11)14(15,16)17/h4-7H,8-10,18H2,1-3H3
InChIKeyCOMVHEGVIREOAR-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.45
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 119991751) has the molecular formula C14H21F3N2O2S and a molecular weight of 338.40 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID119991751
Molecular FormulaC14H21F3N2O2S
Molecular Weight338.40 g/mol
Exact Mass338.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2O2S/c1-13(2,9-18)10-19(3)22(20,21)8-11-5-4-6-12(7-11)14(15,16)17/h4-7H,8-10,18H2,1-3H3
InChIKeyCOMVHEGVIREOAR-UHFFFAOYSA-N
XLogP2.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 119991751) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is CN(CC(C)(C)CN)S(=O)(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is COMVHEGVIREOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2S/c1-13(2,9-18)10-19(3)22(20,21)8-11-5-4-6-12(7-11)14(15,16)17/h4-7H,8-10,18H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 338.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 119991751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).