N'-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine

C9H18F3N3O2S — CID 55010470

IUPACN'-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H18F3N3O2S/c1-14(6-2-5-13)18(16,17)15(8-3-4-8)7-9(10,11)12/h8H,2-7,13H2,1H3
InChIKeyCHMVOCHDPRXGLD-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.54
Rot. Bonds7

About N'-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine

N'-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine (PubChem CID 55010470) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is N'-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine
PubChem CID55010470
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC NameN'-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H18F3N3O2S/c1-14(6-2-5-13)18(16,17)15(8-3-4-8)7-9(10,11)12/h8H,2-7,13H2,1H3
InChIKeyCHMVOCHDPRXGLD-UHFFFAOYSA-N
XLogP0.54
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 55010325
N'-methyl-N'-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 55010519
N'-methyl-N'-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 55010664
N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 61456649
3-[[3-Aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane
CID 63226678
N'-methyl-N'-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propane-1,3-diamine
CID 65534653
N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-N-propylpropane-1,3-diamine
CID 65772820
N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-N-propan-2-ylpropane-1,3-diamine
CID 65772823
N-ethyl-N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 65773963
N,N'-dimethyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 65773973
N-cyclopropyl-N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 65774927
N'-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 65784412

Frequently Asked Questions

What is the IUPAC name of N'-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine (CID 55010470) is N'-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine is CN(CCCN)S(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N'-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
The InChIKey is CHMVOCHDPRXGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c1-14(6-2-5-13)18(16,17)15(8-3-4-8)7-9(10,11)12/h8H,2-7,13H2,1H3.
What are the key properties of N'-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine?
N'-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine has a molecular weight of 289.32 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 55010470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).