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

C7H16F3N3O2S — CID 114803686

IUPAC2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
SMILESCCCC(CN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H16F3N3O2S/c1-2-3-6(4-11)13-16(14,15)12-5-7(8,9)10/h6,12-13H,2-5,11H2,1H3
InChIKeyFFDMDLUWQABGPN-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.10
Rot. Bonds7

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

2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine (PubChem CID 114803686) has the molecular formula C7H16F3N3O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
PubChem CID114803686
Molecular FormulaC7H16F3N3O2S
Molecular Weight263.28 g/mol
Exact Mass263.09
IUPAC Name2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
SMILESCCCC(CN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H16F3N3O2S/c1-2-3-6(4-11)13-16(14,15)12-5-7(8,9)10/h6,12-13H,2-5,11H2,1H3
InChIKeyFFDMDLUWQABGPN-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

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Related Compounds

N-(ethylsulfamoyl)-1,1,1-trifluoropropan-2-amine
CID 130383026
N-(1-aminopentan-2-yl)-1,1-difluoromethanesulfonamide
CID 61133408
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
trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine
CID 102725003
1,1,1-Trifluoro-3-(sulfamoylamino)butane
CID 104854746
(2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
CID 104978177
1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine
CID 106125687
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 2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine?
The IUPAC name of 2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine (CID 114803686) is 2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine is CCCC(CN)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine?
The InChIKey is FFDMDLUWQABGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F3N3O2S/c1-2-3-6(4-11)13-16(14,15)12-5-7(8,9)10/h6,12-13H,2-5,11H2,1H3.
What are the key properties of 2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine?
2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-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 2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine is sourced from PubChem (CID 114803686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).