N-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine

C8H12F3N3O2S2 — CID 71984699

IUPACN-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
SMILESCN(C)S(=O)(=O)N(C)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H12F3N3O2S2/c1-13(2)18(15,16)14(3)4-7-12-6(5-17-7)8(9,10)11/h5H,4H2,1-3H3
InChIKeyJICSPECIQXQTEU-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.40
Rot. Bonds4

About N-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine

N-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 71984699) has the molecular formula C8H12F3N3O2S2 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
PubChem CID71984699
Molecular FormulaC8H12F3N3O2S2
Molecular Weight303.33 g/mol
Exact Mass303.03
IUPAC NameN-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine
SMILESCN(C)S(=O)(=O)N(C)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H12F3N3O2S2/c1-13(2)18(15,16)14(3)4-7-12-6(5-17-7)8(9,10)11/h5H,4H2,1-3H3
InChIKeyJICSPECIQXQTEU-UHFFFAOYSA-N
XLogP1.40
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of N-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine (CID 71984699) is N-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for N-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for N-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine is CN(C)S(=O)(=O)N(C)Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of N-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is JICSPECIQXQTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S2/c1-13(2)18(15,16)14(3)4-7-12-6(5-17-7)8(9,10)11/h5H,4H2,1-3H3.
What are the key properties of N-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine?
N-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 303.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-N-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 71984699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).