1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine

C7H16F3N3O2S — CID 106125687

IUPAC1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine
SMILESCC(N)CCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H16F3N3O2S/c1-6(11)3-2-4-12-16(14,15)13-5-7(8,9)10/h6,12-13H,2-5,11H2,1H3
InChIKeySSTDXRCWNAZTPL-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.10
Rot. Bonds7

About 1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine

1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine (PubChem CID 106125687) has the molecular formula C7H16F3N3O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine
PubChem CID106125687
Molecular FormulaC7H16F3N3O2S
Molecular Weight263.28 g/mol
Exact Mass263.09
IUPAC Name1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine
SMILESCC(N)CCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H16F3N3O2S/c1-6(11)3-2-4-12-16(14,15)13-5-7(8,9)10/h6,12-13H,2-5,11H2,1H3
InChIKeySSTDXRCWNAZTPL-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
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

N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
N-(ethylsulfamoyl)-1,1,1-trifluoropropan-2-amine
CID 130383026
N-(1-aminopentan-2-yl)-1,1-difluoromethanesulfonamide
CID 61133408
N-(1-aminopentan-3-yl)-1,1-difluoromethanesulfonamide
CID 62651065
N-(1-aminopentan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 65193226
N-(5-aminopentan-2-yl)-1,1-difluoromethanesulfonamide
CID 80299545
N-(1-aminohexan-2-yl)-1,1-difluoromethanesulfonamide
CID 80696548
N-(1-aminohexan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 80697536
1,1,1-Trifluoro-3-(sulfamoylamino)butane
CID 104854746
(2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
CID 104978177
N-(4-aminopentyl)-1,1-difluoromethanesulfonamide
CID 106125832
1,1,1-Trifluoro-5-(sulfamoylamino)pentane
CID 112703664

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine?
The IUPAC name of 1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine (CID 106125687) is 1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine is CC(N)CCCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine?
The InChIKey is SSTDXRCWNAZTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F3N3O2S/c1-6(11)3-2-4-12-16(14,15)13-5-7(8,9)10/h6,12-13H,2-5,11H2,1H3.
What are the key properties of 1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine?
1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine has a molecular weight of 263.28 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine is sourced from PubChem (CID 106125687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).