1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane

C7H17F2N3O2S — CID 107493806

IUPAC1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane
SMILESCCCNS(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C7H17F2N3O2S/c1-2-4-11-15(13,14)12(5-3-10)6-7(8)9/h7,11H,2-6,10H2,1H3
InChIKeyIHOWHADMHWHGFQ-UHFFFAOYSA-N
MW245.29 g/mol
LogP-0.24
Rot. Bonds8

About 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane

1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane (PubChem CID 107493806) has the molecular formula C7H17F2N3O2S and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane.

Molecular Properties

Compound Name1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane
PubChem CID107493806
Molecular FormulaC7H17F2N3O2S
Molecular Weight245.29 g/mol
Exact Mass245.10
IUPAC Name1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane
SMILESCCCNS(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C7H17F2N3O2S/c1-2-4-11-15(13,14)12(5-3-10)6-7(8)9/h7,11H,2-6,10H2,1H3
InChIKeyIHOWHADMHWHGFQ-UHFFFAOYSA-N
XLogP-0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Ethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane
CID 88047147
3-[[2-Aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane
CID 155056426
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-ethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 55010529
N-propyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61251788
N-(2-aminoethyl)-1,1-difluoro-N-propylmethanesulfonamide
CID 61349163
N'-methyl-N'-[methyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 61456649
1,1,1-trifluoro-N-[2-(propylamino)ethyl]methanesulfonamide
CID 62665135
3-[[3-Aminopropyl(methyl)sulfamoyl]amino]-1,1,1-trifluoropropane
CID 63226678
N-(2-aminoethyl)-N-butyl-1,1-difluoromethanesulfonamide
CID 63765226
N-methyl-N-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide
CID 65538796

Frequently Asked Questions

What is the IUPAC name of 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane?
The IUPAC name of 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane (CID 107493806) is 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane.
What is the SMILES notation for 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane?
The canonical SMILES for 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane is CCCNS(=O)(=O)N(CCN)CC(F)F.
What is the InChIKey of 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane?
The InChIKey is IHOWHADMHWHGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17F2N3O2S/c1-2-4-11-15(13,14)12(5-3-10)6-7(8)9/h7,11H,2-6,10H2,1H3.
What are the key properties of 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane?
1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane has a molecular weight of 245.29 g/mol, XLogP of -0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane is sourced from PubChem (CID 107493806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).