3-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane

C7H17F2N3O2S — CID 155056426

IUPAC3-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane
SMILESCCN(CCN)S(=O)(=O)NCCC(F)F
InChIInChI=1S/C7H17F2N3O2S/c1-2-12(6-4-10)15(13,14)11-5-3-7(8)9/h7,11H,2-6,10H2,1H3
InChIKeyLTVMIDBJRNCBGQ-UHFFFAOYSA-N
MW245.29 g/mol
LogP-0.24
Rot. Bonds8

About 3-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane

3-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane (PubChem CID 155056426) has the molecular formula C7H17F2N3O2S and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane.

Molecular Properties

Compound Name3-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane
PubChem CID155056426
Molecular FormulaC7H17F2N3O2S
Molecular Weight245.29 g/mol
Exact Mass245.10
IUPAC Name3-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane
SMILESCCN(CCN)S(=O)(=O)NCCC(F)F
InChIInChI=1S/C7H17F2N3O2S/c1-2-12(6-4-10)15(13,14)11-5-3-7(8)9/h7,11H,2-6,10H2,1H3
InChIKeyLTVMIDBJRNCBGQ-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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Frequently Asked Questions

What is the IUPAC name of 3-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane?
The IUPAC name of 3-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane (CID 155056426) is 3-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane.
What is the SMILES notation for 3-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane?
The canonical SMILES for 3-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane is CCN(CCN)S(=O)(=O)NCCC(F)F.
What is the InChIKey of 3-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane?
The InChIKey is LTVMIDBJRNCBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17F2N3O2S/c1-2-12(6-4-10)15(13,14)11-5-3-7(8)9/h7,11H,2-6,10H2,1H3.
What are the key properties of 3-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane?
3-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane 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 3-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane is sourced from PubChem (CID 155056426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).