2-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane

C7H17F2N3O2S — CID 107493845

IUPAC2-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane
SMILESCC(C)NS(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C7H17F2N3O2S/c1-6(2)11-15(13,14)12(4-3-10)5-7(8)9/h6-7,11H,3-5,10H2,1-2H3
InChIKeyDUSMSVBBVLLQFK-UHFFFAOYSA-N
MW245.29 g/mol
LogP-0.25
Rot. Bonds7

About 2-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane

2-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane (PubChem CID 107493845) has the molecular formula C7H17F2N3O2S and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane.

Molecular Properties

Compound Name2-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane
PubChem CID107493845
Molecular FormulaC7H17F2N3O2S
Molecular Weight245.29 g/mol
Exact Mass245.10
IUPAC Name2-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane
SMILESCC(C)NS(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C7H17F2N3O2S/c1-6(2)11-15(13,14)12(4-3-10)5-7(8)9/h6-7,11H,3-5,10H2,1-2H3
InChIKeyDUSMSVBBVLLQFK-UHFFFAOYSA-N
XLogP-0.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide
CID 62665151
N-[2-[2,2-difluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 121481054
N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide
CID 140898063
3-[[2-Aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane
CID 155056426
N,N-dimethyl-3-(trifluoromethyl)piperazine-1-sulfonamide
CID 175025436
N'-methyl-N'-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 55010664
N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61252932
N-(2-aminoethyl)-1,1-difluoro-N-propan-2-ylmethanesulfonamide
CID 61351057
1,1-difluoro-N-[2-(propan-2-ylamino)ethyl]methanesulfonamide
CID 62663893
N-(1-aminopropan-2-yl)-1,1-difluoro-N-methylmethanesulfonamide
CID 64414501
N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-N-propan-2-ylpropane-1,3-diamine
CID 65772823
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 2-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane?
The IUPAC name of 2-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane (CID 107493845) is 2-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane.
What is the SMILES notation for 2-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane?
The canonical SMILES for 2-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane is CC(C)NS(=O)(=O)N(CCN)CC(F)F.
What is the InChIKey of 2-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane?
The InChIKey is DUSMSVBBVLLQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17F2N3O2S/c1-6(2)11-15(13,14)12(4-3-10)5-7(8)9/h6-7,11H,3-5,10H2,1-2H3.
What are the key properties of 2-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane?
2-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane has a molecular weight of 245.29 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane is sourced from PubChem (CID 107493845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).