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

C7H16F3N3O2S — CID 114803693

IUPAC2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
SMILESCCC(C)(CN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H16F3N3O2S/c1-3-6(2,4-11)13-16(14,15)12-5-7(8,9)10/h12-13H,3-5,11H2,1-2H3
InChIKeyLONRFPODDJFVMQ-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.10
Rot. Bonds6

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

2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine (PubChem CID 114803693) has the molecular formula C7H16F3N3O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
PubChem CID114803693
Molecular FormulaC7H16F3N3O2S
Molecular Weight263.28 g/mol
Exact Mass263.09
IUPAC Name2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
SMILESCCC(C)(CN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H16F3N3O2S/c1-3-6(2,4-11)13-16(14,15)12-5-7(8,9)10/h12-13H,3-5,11H2,1-2H3
InChIKeyLONRFPODDJFVMQ-UHFFFAOYSA-N
XLogP0.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide
CID 61124575
N-(1-amino-2-methylbutan-2-yl)-1,1-difluoromethanesulfonamide
CID 61135208
N-[3-(aminomethyl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide
CID 63889578
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclobutan-1-amine
CID 103352839
3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
CID 106165470
1-Amino-2-methyl-2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butane
CID 113636441
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide
CID 113637077
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
3,3-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 114208130
2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
CID 114803658
2-ethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 114803669

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine (CID 114803693) is 2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine is CCC(C)(CN)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine?
The InChIKey is LONRFPODDJFVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F3N3O2S/c1-3-6(2,4-11)13-16(14,15)12-5-7(8,9)10/h12-13H,3-5,11H2,1-2H3.
What are the key properties of 2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine?
2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine has a molecular weight of 263.28 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine is sourced from PubChem (CID 114803693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).