2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine

C8H18F3N3O2S — CID 114150922

IUPAC2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine
SMILESCC(CN)CCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-7(5-12)3-2-4-13-17(15,16)14-6-8(9,10)11/h7,13-14H,2-6,12H2,1H3
InChIKeyRUNGKAOGVDYQIU-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.35
Rot. Bonds8

About 2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine

2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine (PubChem CID 114150922) has the molecular formula C8H18F3N3O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine.

Molecular Properties

Compound Name2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine
PubChem CID114150922
Molecular FormulaC8H18F3N3O2S
Molecular Weight277.31 g/mol
Exact Mass277.11
IUPAC Name2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine
SMILESCC(CN)CCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-7(5-12)3-2-4-13-17(15,16)14-6-8(9,10)11/h7,13-14H,2-6,12H2,1H3
InChIKeyRUNGKAOGVDYQIU-UHFFFAOYSA-N
XLogP0.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2,2,3,3-Pentafluoro-4-methyl-6-(sulfamoylamino)hexane
CID 53640924
1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine
CID 140915623
3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 102913101
N-[2-(2-aminoethyl)pentyl]-1,1-difluoromethanesulfonamide
CID 106116380
2,2-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 106141425
N-(5-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide
CID 106154252
3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
CID 106165470
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-cyclopropyl-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
CID 113637454
2,4-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637456
3-Amino-4-methyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane
CID 113637461

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine?
The IUPAC name of 2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine (CID 114150922) is 2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine.
What is the SMILES notation for 2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine?
The canonical SMILES for 2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine is CC(CN)CCCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine?
The InChIKey is RUNGKAOGVDYQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3N3O2S/c1-7(5-12)3-2-4-13-17(15,16)14-6-8(9,10)11/h7,13-14H,2-6,12H2,1H3.
What are the key properties of 2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine?
2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine has a molecular weight of 277.31 g/mol, XLogP of 0.35, 8 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)pentane-1,5-diamine is sourced from PubChem (CID 114150922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).