4,4-dimethyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine

C9H20F3N3O2S — CID 114178222

IUPAC4,4-dimethyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
SMILESCC(C)(C)C(CCN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H20F3N3O2S/c1-8(2,3)7(4-5-13)15-18(16,17)14-6-9(10,11)12/h7,14-15H,4-6,13H2,1-3H3
InChIKeyAUDATEQDDQPPEX-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.74
Rot. Bonds6

About 4,4-dimethyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine

4,4-dimethyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine (PubChem CID 114178222) has the molecular formula C9H20F3N3O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 4,4-dimethyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine.

Molecular Properties

Compound Name4,4-dimethyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
PubChem CID114178222
Molecular FormulaC9H20F3N3O2S
Molecular Weight291.34 g/mol
Exact Mass291.12
IUPAC Name4,4-dimethyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
SMILESCC(C)(C)C(CCN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H20F3N3O2S/c1-8(2,3)7(4-5-13)15-18(16,17)14-6-9(10,11)12/h7,14-15H,4-6,13H2,1-3H3
InChIKeyAUDATEQDDQPPEX-UHFFFAOYSA-N
XLogP0.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1,1-trifluoromethanesulfonamide
CID 79711267
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,1-difluoromethanesulfonamide
CID 79711436
2,2-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 106141425
3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
CID 106165470
N-(1-amino-4,4-dimethylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106357479
N-(1-amino-4,4-dimethylpentan-3-yl)-1,1-difluoromethanesulfonamide
CID 106357505
N-(2-amino-4,4-dimethylpentyl)-1,1-difluoromethanesulfonamide
CID 107158982
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
3-Amino-4-methyl-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane
CID 113637461
4,4-dimethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113924872
2,2-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine
CID 114149107

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine?
The IUPAC name of 4,4-dimethyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine (CID 114178222) is 4,4-dimethyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine.
What is the SMILES notation for 4,4-dimethyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine?
The canonical SMILES for 4,4-dimethyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine is CC(C)(C)C(CCN)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 4,4-dimethyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine?
The InChIKey is AUDATEQDDQPPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F3N3O2S/c1-8(2,3)7(4-5-13)15-18(16,17)14-6-9(10,11)12/h7,14-15H,4-6,13H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine?
4,4-dimethyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine has a molecular weight of 291.34 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine is sourced from PubChem (CID 114178222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).