2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline

C12H18F3N3O2S — CID 114813987

IUPAC2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline
SMILESCC(C)CNS(=O)(=O)Nc1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C12H18F3N3O2S/c1-8(2)7-17-21(19,20)18-11-4-3-10(12(13,14)15)5-9(11)6-16/h3-5,8,17-18H,6-7,16H2,1-2H3
InChIKeyRQGKXDBBUNSBKV-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.07
Rot. Bonds6

About 2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline

2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline (PubChem CID 114813987) has the molecular formula C12H18F3N3O2S and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline
PubChem CID114813987
Molecular FormulaC12H18F3N3O2S
Molecular Weight325.36 g/mol
Exact Mass325.11
IUPAC Name2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline
SMILESCC(C)CNS(=O)(=O)Nc1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C12H18F3N3O2S/c1-8(2)7-17-21(19,20)18-11-4-3-10(12(13,14)15)5-9(11)6-16/h3-5,8,17-18H,6-7,16H2,1-2H3
InChIKeyRQGKXDBBUNSBKV-UHFFFAOYSA-N
XLogP2.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline
CID 114804120
2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline
CID 62103801
4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline
CID 114813992
[2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
CID 68512051
methyl N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]carbamate
CID 112556113
[2-(2-methylpropylsulfamoylamino)phenyl]methanol
CID 114815630
3-amino-4-(2-methylpropylsulfamoylamino)phenol
CID 107697833
2-(ethylsulfamoylamino)-5-(trifluoromethyl)benzenecarbothioamide
CID 114808520
2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline
CID 114813800
3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 115911072
1-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 106002934
1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-3-propylurea
CID 112556111

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline (CID 114813987) is 2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline is CC(C)CNS(=O)(=O)Nc1ccc(C(F)(F)F)cc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline?
The InChIKey is RQGKXDBBUNSBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2S/c1-8(2)7-17-21(19,20)18-11-4-3-10(12(13,14)15)5-9(11)6-16/h3-5,8,17-18H,6-7,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline?
2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline has a molecular weight of 325.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 114813987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).