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

C9H20F3N3O2S — CID 55010664

IUPACN'-methyl-N'-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C9H20F3N3O2S/c1-8(2)15(7-9(10,11)12)18(16,17)14(3)6-4-5-13/h8H,4-7,13H2,1-3H3
InChIKeyCGATUEHRDCEEES-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.78
Rot. Bonds7

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

N'-methyl-N'-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine (PubChem CID 55010664) has the molecular formula C9H20F3N3O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is N'-methyl-N'-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
PubChem CID55010664
Molecular FormulaC9H20F3N3O2S
Molecular Weight291.34 g/mol
Exact Mass291.12
IUPAC NameN'-methyl-N'-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C9H20F3N3O2S/c1-8(2)15(7-9(10,11)12)18(16,17)14(3)6-4-5-13/h8H,4-7,13H2,1-3H3
InChIKeyCGATUEHRDCEEES-UHFFFAOYSA-N
XLogP0.78
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine (CID 55010664) is N'-methyl-N'-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine is CC(C)N(CC(F)(F)F)S(=O)(=O)N(C)CCCN.
What is the InChIKey of N'-methyl-N'-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine?
The InChIKey is CGATUEHRDCEEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F3N3O2S/c1-8(2)15(7-9(10,11)12)18(16,17)14(3)6-4-5-13/h8H,4-7,13H2,1-3H3.
What are the key properties of N'-methyl-N'-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine?
N'-methyl-N'-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine has a molecular weight of 291.34 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine is sourced from PubChem (CID 55010664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).