N'-[methyl(propan-2-yl)sulfamoyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C8H18F3N3O2S — CID 107493903

IUPACN'-[methyl(propan-2-yl)sulfamoyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(C)N(C)S(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-7(2)13(3)17(15,16)14(5-4-12)6-8(9,10)11/h7H,4-6,12H2,1-3H3
InChIKeyGMDPXQXVXUXCNZ-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.39
Rot. Bonds6

About N'-[methyl(propan-2-yl)sulfamoyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-[methyl(propan-2-yl)sulfamoyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107493903) has the molecular formula C8H18F3N3O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is N'-[methyl(propan-2-yl)sulfamoyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[methyl(propan-2-yl)sulfamoyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107493903
Molecular FormulaC8H18F3N3O2S
Molecular Weight277.31 g/mol
Exact Mass277.11
IUPAC NameN'-[methyl(propan-2-yl)sulfamoyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(C)N(C)S(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-7(2)13(3)17(15,16)14(5-4-12)6-8(9,10)11/h7H,4-6,12H2,1-3H3
InChIKeyGMDPXQXVXUXCNZ-UHFFFAOYSA-N
XLogP0.39
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide
CID 62665151
N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 121481054
3-amino-N-(3,3-difluoropropyl)-N-methylpyrrolidine-1-sulfonamide
CID 155056242
3-[[2-Aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane
CID 155056426
N'-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 55010325
N'-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 55010470
N'-methyl-N'-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 55010519
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,4-diazepane-1-sulfonamide
CID 55010626
N'-methyl-N'-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 55010664
N-methyl-N-{2-[(3,3,3-trifluoro-1-methylpropyl)amino]ethyl}methanesulfonamide
CID 56701258
N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61252932
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61253719

Frequently Asked Questions

What is the IUPAC name of N'-[methyl(propan-2-yl)sulfamoyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-[methyl(propan-2-yl)sulfamoyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107493903) is N'-[methyl(propan-2-yl)sulfamoyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[methyl(propan-2-yl)sulfamoyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[methyl(propan-2-yl)sulfamoyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CC(C)N(C)S(=O)(=O)N(CCN)CC(F)(F)F.
What is the InChIKey of N'-[methyl(propan-2-yl)sulfamoyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is GMDPXQXVXUXCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3N3O2S/c1-7(2)13(3)17(15,16)14(5-4-12)6-8(9,10)11/h7H,4-6,12H2,1-3H3.
What are the key properties of N'-[methyl(propan-2-yl)sulfamoyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-[methyl(propan-2-yl)sulfamoyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 277.31 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[methyl(propan-2-yl)sulfamoyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107493903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).