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

C8H18F3N3O2S — CID 114178208

IUPAC4-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
SMILESCC(C)C(CCN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-6(2)7(3-4-12)14-17(15,16)13-5-8(9,10)11/h6-7,13-14H,3-5,12H2,1-2H3
InChIKeyYORFEJNJUDCGHC-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.35
Rot. Bonds7

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

4-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine (PubChem CID 114178208) has the molecular formula C8H18F3N3O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 4-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
PubChem CID114178208
Molecular FormulaC8H18F3N3O2S
Molecular Weight277.31 g/mol
Exact Mass277.11
IUPAC Name4-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
SMILESCC(C)C(CCN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-6(2)7(3-4-12)14-17(15,16)13-5-8(9,10)11/h6-7,13-14H,3-5,12H2,1-2H3
InChIKeyYORFEJNJUDCGHC-UHFFFAOYSA-N
XLogP0.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

1,1,1-trifluoro-3-methyl-N-(2-methylpropylsulfamoyl)butan-2-amine
CID 140915623
3-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 65786548
3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 102913101
3-(aminomethyl)-N-(4,4,4-trifluorobutan-2-yl)piperidine-1-sulfonamide
CID 105946702
1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,4-diamine
CID 106125687
3-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine
CID 106165470
N-(1-amino-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106357400
N-(1-amino-4-methylpentan-3-yl)-1,1-difluoromethanesulfonamide
CID 106357426
N-(1-amino-4,4-dimethylpentan-3-yl)-1,1-difluoromethanesulfonamide
CID 106357505
4-amino-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 113636356
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine?
The IUPAC name of 4-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine (CID 114178208) is 4-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine.
What is the SMILES notation for 4-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine?
The canonical SMILES for 4-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine is CC(C)C(CCN)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 4-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine?
The InChIKey is YORFEJNJUDCGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3N3O2S/c1-6(2)7(3-4-12)14-17(15,16)13-5-8(9,10)11/h6-7,13-14H,3-5,12H2,1-2H3.
What are the key properties of 4-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine?
4-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine has a molecular weight of 277.31 g/mol, XLogP of 0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,3-diamine is sourced from PubChem (CID 114178208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).