2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine

C7H16F3N3O2S — CID 114812894

IUPAC2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
SMILESCC(CCN)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H16F3N3O2S/c1-6(2-3-11)4-12-16(14,15)13-5-7(8,9)10/h6,12-13H,2-5,11H2,1H3
InChIKeyAWCPVEDCOCVYKZ-UHFFFAOYSA-N
MW263.28 g/mol
LogP-0.04
Rot. Bonds7

About 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine

2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine (PubChem CID 114812894) has the molecular formula C7H16F3N3O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
PubChem CID114812894
Molecular FormulaC7H16F3N3O2S
Molecular Weight263.28 g/mol
Exact Mass263.09
IUPAC Name2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
SMILESCC(CCN)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H16F3N3O2S/c1-6(2-3-11)4-12-16(14,15)13-5-7(8,9)10/h6,12-13H,2-5,11H2,1H3
InChIKeyAWCPVEDCOCVYKZ-UHFFFAOYSA-N
XLogP-0.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-Trifluoro-N-(2-methylbutyl)methanesulfonamide
CID 72183447
3-methyl-N-(3-methylbutylsulfamoyl)butan-1-amine
CID 102243142
N-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine
CID 22621391
N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
2-Methyl-1-(trifluoromethoxysulfinylamino)butane
CID 53701522
1,1,1-Trifluoro-N-isopentylmethanesulfonamide
CID 118301710
1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine
CID 140915623
N-(4-amino-2-methylbutyl)-1,1-difluoromethanesulfonamide
CID 66089301
3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 102913101
2,2-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 106141425
1,1,1-Trifluoro-4-(sulfamoylamino)butane
CID 112695708
2-propyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 114145477

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine (CID 114812894) is 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine is CC(CCN)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine?
The InChIKey is AWCPVEDCOCVYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F3N3O2S/c1-6(2-3-11)4-12-16(14,15)13-5-7(8,9)10/h6,12-13H,2-5,11H2,1H3.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine?
2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine has a molecular weight of 263.28 g/mol, XLogP of -0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine is sourced from PubChem (CID 114812894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).