N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine

C7H16F3N3O2S — CID 61456649

IUPACN'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
SMILESCN(CCCN)S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C7H16F3N3O2S/c1-12(5-3-4-11)16(14,15)13(2)6-7(8,9)10/h3-6,11H2,1-2H3
InChIKeyCJEROSDCXIIGAW-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.01
Rot. Bonds6

About N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine

N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine (PubChem CID 61456649) has the molecular formula C7H16F3N3O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
PubChem CID61456649
Molecular FormulaC7H16F3N3O2S
Molecular Weight263.28 g/mol
Exact Mass263.09
IUPAC NameN'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
SMILESCN(CCCN)S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C7H16F3N3O2S/c1-12(5-3-4-11)16(14,15)13(2)6-7(8,9)10/h3-6,11H2,1-2H3
InChIKeyCJEROSDCXIIGAW-UHFFFAOYSA-N
XLogP0.01
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine (CID 61456649) is N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine is CN(CCCN)S(=O)(=O)N(C)CC(F)(F)F.
What is the InChIKey of N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine?
The InChIKey is CJEROSDCXIIGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F3N3O2S/c1-12(5-3-4-11)16(14,15)13(2)6-7(8,9)10/h3-6,11H2,1-2H3.
What are the key properties of N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine?
N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine has a molecular weight of 263.28 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine is sourced from PubChem (CID 61456649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).