1-[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane

C9H20F3N3O2S — CID 114803760

IUPAC1-[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane
SMILESCC(C)CN(CCCN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H20F3N3O2S/c1-8(2)6-15(5-3-4-13)18(16,17)14-7-9(10,11)12/h8,14H,3-7,13H2,1-2H3
InChIKeyXOEGKYCBBOTUND-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.69
Rot. Bonds8

About 1-[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane

1-[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane (PubChem CID 114803760) has the molecular formula C9H20F3N3O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane.

Molecular Properties

Compound Name1-[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane
PubChem CID114803760
Molecular FormulaC9H20F3N3O2S
Molecular Weight291.34 g/mol
Exact Mass291.12
IUPAC Name1-[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane
SMILESCC(C)CN(CCCN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H20F3N3O2S/c1-8(2)6-15(5-3-4-13)18(16,17)14-7-9(10,11)12/h8,14H,3-7,13H2,1-2H3
InChIKeyXOEGKYCBBOTUND-UHFFFAOYSA-N
XLogP0.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-aminoethyl(2,2,2-trifluoroethylsulfamoyl)amino]butane
CID 114812748
N'-hydroxy-2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
CID 104978543
4-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]butanoic acid
CID 114805545
N'-hydroxy-3-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978369
3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]butanethioamide
CID 114808350
3-[ethylsulfamoyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104978381
2-[2-aminoethyl(ethylsulfamoyl)amino]-1,1,1-trifluoroethane
CID 107493945
2-hydroxy-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
CID 114809415
N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide
CID 103298483
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylpentane
CID 61456363
3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide
CID 114808235
1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane
CID 114803901

Frequently Asked Questions

What is the IUPAC name of 1-[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane?
The IUPAC name of 1-[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane (CID 114803760) is 1-[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane.
What is the SMILES notation for 1-[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane?
The canonical SMILES for 1-[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane is CC(C)CN(CCCN)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane?
The InChIKey is XOEGKYCBBOTUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F3N3O2S/c1-8(2)6-15(5-3-4-13)18(16,17)14-7-9(10,11)12/h8,14H,3-7,13H2,1-2H3.
What are the key properties of 1-[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane?
1-[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane has a molecular weight of 291.34 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-aminopropyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane is sourced from PubChem (CID 114803760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).