3-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine

C7H16F3N3O2S — CID 114810885

IUPAC3-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
SMILESCC(C)C(N)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H16F3N3O2S/c1-5(2)6(11)3-12-16(14,15)13-4-7(8,9)10/h5-6,12-13H,3-4,11H2,1-2H3
InChIKeySAPQGXYSNHHCSU-UHFFFAOYSA-N
MW263.29 g/mol
LogP-0.04
Rot. Bonds6

About 3-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine

3-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine (PubChem CID 114810885) has the molecular formula C7H16F3N3O2S and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
PubChem CID114810885
Molecular FormulaC7H16F3N3O2S
Molecular Weight263.29 g/mol
Exact Mass263.09
IUPAC Name3-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
SMILESCC(C)C(N)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H16F3N3O2S/c1-5(2)6(11)3-12-16(14,15)13-4-7(8,9)10/h5-6,12-13H,3-4,11H2,1-2H3
InChIKeySAPQGXYSNHHCSU-UHFFFAOYSA-N
XLogP-0.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine
CID 140915623
N-(2-amino-3-methylbutyl)-1,1-difluoromethanesulfonamide
CID 64173996
N-(2-amino-3-methylbutyl)-1,1,1-trifluoromethanesulfonamide
CID 64176144
N-(1-amino-3-methylbutan-2-yl)-1,1-difluoromethanesulfonamide
CID 64419663
N-(1-amino-3-methylbutan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 65193292
N-[(S)-2-Amino-3-methylbutyl]trifluoromethanesulfonamide
CID 101958053
(2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
CID 104978177
4-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637345
4-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637383
2-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 113637452
2,4-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637456
3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 114168570

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine?
The IUPAC name of 3-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine (CID 114810885) is 3-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine.
What is the SMILES notation for 3-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine?
The canonical SMILES for 3-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine is CC(C)C(N)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine?
The InChIKey is SAPQGXYSNHHCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F3N3O2S/c1-5(2)6(11)3-12-16(14,15)13-4-7(8,9)10/h5-6,12-13H,3-4,11H2,1-2H3.
What are the key properties of 3-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine?
3-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine has a molecular weight of 263.29 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine is sourced from PubChem (CID 114810885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).