3-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane

C7H16F3N3O2S — CID 63226678

IUPAC3-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane
SMILESCN(CCCN)S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C7H16F3N3O2S/c1-13(6-2-4-11)16(14,15)12-5-3-7(8,9)10/h12H,2-6,11H2,1H3
InChIKeyCDFHAZRRTHZTGB-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.05
Rot. Bonds7

About 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane

3-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane (PubChem CID 63226678) has the molecular formula C7H16F3N3O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane.

Molecular Properties

Compound Name3-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane
PubChem CID63226678
Molecular FormulaC7H16F3N3O2S
Molecular Weight263.28 g/mol
Exact Mass263.09
IUPAC Name3-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane
SMILESCN(CCCN)S(=O)(=O)NCCC(F)(F)F
InChIInChI=1S/C7H16F3N3O2S/c1-13(6-2-4-11)16(14,15)12-5-3-7(8,9)10/h12H,2-6,11H2,1H3
InChIKeyCDFHAZRRTHZTGB-UHFFFAOYSA-N
XLogP0.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Perfluoromethane sulfonamido propyl dimethyl amine
CID 21524814
1,1,1-trifluoro-N-[3-(methylamino)propyl]methanesulfonamide
CID 43606008
1,1,1-Trifluoro-3-[methyl(sulfamoyl)amino]propane
CID 61384450
2-[[Ethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane
CID 88047146
3-(Fluorosulfonylamino)propyl-trimethylazanium
CID 130266408
3-[[2-Aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane
CID 155056426
[(2,2-Difluoropropyl)(methyl)sulfamoyl]amine
CID 164649432
N-(3-aminopropyl)-1,1-difluoro-N-methylmethanesulfonamide
CID 28606505
N-(3-aminopropyl)-1,1-difluoro-N-propylmethanesulfonamide
CID 43136941
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

Frequently Asked Questions

What is the IUPAC name of 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane?
The IUPAC name of 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane (CID 63226678) is 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane.
What is the SMILES notation for 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane?
The canonical SMILES for 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane is CN(CCCN)S(=O)(=O)NCCC(F)(F)F.
What is the InChIKey of 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane?
The InChIKey is CDFHAZRRTHZTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F3N3O2S/c1-13(6-2-4-11)16(14,15)12-5-3-7(8,9)10/h12H,2-6,11H2,1H3.
What are the key properties of 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane?
3-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane has a molecular weight of 263.28 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane is sourced from PubChem (CID 63226678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).