2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline

C12H18F3N3O2S — CID 114804120

IUPAC2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline
SMILESCC(C)(C)NS(=O)(=O)Nc1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C12H18F3N3O2S/c1-11(2,3)18-21(19,20)17-10-5-4-9(12(13,14)15)6-8(10)7-16/h4-6,17-18H,7,16H2,1-3H3
InChIKeyCGPAZINPRIUTFC-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.21
Rot. Bonds4

About 2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline

2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline (PubChem CID 114804120) has the molecular formula C12H18F3N3O2S and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline
PubChem CID114804120
Molecular FormulaC12H18F3N3O2S
Molecular Weight325.36 g/mol
Exact Mass325.11
IUPAC Name2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline
SMILESCC(C)(C)NS(=O)(=O)Nc1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C12H18F3N3O2S/c1-11(2,3)18-21(19,20)17-10-5-4-9(12(13,14)15)6-8(10)7-16/h4-6,17-18H,7,16H2,1-3H3
InChIKeyCGPAZINPRIUTFC-UHFFFAOYSA-N
XLogP2.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline (CID 114804120) is 2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline is CC(C)(C)NS(=O)(=O)Nc1ccc(C(F)(F)F)cc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline?
The InChIKey is CGPAZINPRIUTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2S/c1-11(2,3)18-21(19,20)17-10-5-4-9(12(13,14)15)6-8(10)7-16/h4-6,17-18H,7,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline?
2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline has a molecular weight of 325.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 114804120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).