3-[2-[3-[oxido(trifluoromethylsulfonyl)azaniumyl]sulfonylpropylsulfonylamino]ethylamino]-2-oxooxolane

C10H18F3N3O9S3 — CID 163824344

IUPAC3-[2-[3-[oxido(trifluoromethylsulfonyl)azaniumyl]sulfonylpropylsulfonylamino]ethylamino]-2-oxooxolane
SMILESO=C1OCCC1NCCNS(=O)(=O)CCCS(=O)(=O)[NH+]([O-])S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F3N3O9S3/c11-10(12,13)28(23,24)16(18)27(21,22)7-1-6-26(19,20)15-4-3-14-8-2-5-25-9(8)17/h8,14-16H,1-7H2
InChIKeyNYDFMRUOLFCBON-UHFFFAOYSA-N
MW477.46 g/mol
LogP-3.24
Rot. Bonds11

About 3-[2-[3-[oxido(trifluoromethylsulfonyl)azaniumyl]sulfonylpropylsulfonylamino]ethylamino]-2-oxooxolane

3-[2-[3-[oxido(trifluoromethylsulfonyl)azaniumyl]sulfonylpropylsulfonylamino]ethylamino]-2-oxooxolane (PubChem CID 163824344) has the molecular formula C10H18F3N3O9S3 and a molecular weight of 477.46 g/mol. Its IUPAC name is 3-[2-[3-[oxido(trifluoromethylsulfonyl)azaniumyl]sulfonylpropylsulfonylamino]ethylamino]-2-oxooxolane.

Molecular Properties

Compound Name3-[2-[3-[oxido(trifluoromethylsulfonyl)azaniumyl]sulfonylpropylsulfonylamino]ethylamino]-2-oxooxolane
PubChem CID163824344
Molecular FormulaC10H18F3N3O9S3
Molecular Weight477.46 g/mol
Exact Mass477.02
IUPAC Name3-[2-[3-[oxido(trifluoromethylsulfonyl)azaniumyl]sulfonylpropylsulfonylamino]ethylamino]-2-oxooxolane
SMILESO=C1OCCC1NCCNS(=O)(=O)CCCS(=O)(=O)[NH+]([O-])S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F3N3O9S3/c11-10(12,13)28(23,24)16(18)27(21,22)7-1-6-26(19,20)15-4-3-14-8-2-5-25-9(8)17/h8,14-16H,1-7H2
InChIKeyNYDFMRUOLFCBON-UHFFFAOYSA-N
XLogP-3.24
TPSA180.28 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.46
LogP ≤ 5-3.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[2-[3-[oxido(trifluoromethylsulfonyl)azaniumyl]sulfonylpropylsulfonylamino]ethylamino]-2-oxooxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-difluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonyl-N-(trifluoromethylsulfanyl)propane-1-sulfonamide
CID 88870089
3-[2-[3-(Trifluoromethylsulfanylamino)sulfanylpropylsulfanylamino]ethylamino]oxolan-2-one
CID 123501865
1,1,2,2,3,3-hexafluoro-N-[2-[(2-oxooxolan-3-yl)amino]ethyl]-N'-(trifluoromethylsulfonyl)propane-1,3-disulfonamide
CID 123931145
3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 129309045
N-[2-[(2-oxooxolan-3-yl)amino]ethyl]-N'-(trifluoromethylsulfonyl)propane-1,3-disulfonamide
CID 138622814
1,1-difluoro-N-[2-[(2-oxooxolan-3-yl)amino]ethyl]-N'-(trifluoromethylsulfonyl)methanedisulfonamide
CID 148206345
1,1,2,2,3,3-Hexafluoro-3-[2-[(2-oxooxolan-3-yl)-propylamino]ethylsulfamoyl]propane-1-sulfonic acid
CID 155237467
1,1-difluoro-N-[2-[(2-oxooxolan-3-yl)amino]ethyl]methanesulfonamide
CID 155359955
3-[2-[[Difluoro-[oxido(trifluoromethylsulfonyl)azaniumyl]sulfonylmethyl]sulfonylamino]ethylamino]-2-oxooxolane
CID 163427846
1,1,2,2,3,3-hexafluoro-N-[2-[(2-oxooxolan-3-yl)amino]ethyl]-3-[2-(trifluoromethylsulfonyl)ethylsulfonyl]propane-1-sulfonamide
CID 166970116
[1,1,2,2,3,3-Hexafluoro-3-[2-[(2-oxooxolan-3-yl)amino]ethylsulfamoyl]propyl]sulfonylsulfamic acid
CID 169614170
1,1,2,2-tetrafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfanyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 170046479

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[oxido(trifluoromethylsulfonyl)azaniumyl]sulfonylpropylsulfonylamino]ethylamino]-2-oxooxolane?
The IUPAC name of 3-[2-[3-[oxido(trifluoromethylsulfonyl)azaniumyl]sulfonylpropylsulfonylamino]ethylamino]-2-oxooxolane (CID 163824344) is 3-[2-[3-[oxido(trifluoromethylsulfonyl)azaniumyl]sulfonylpropylsulfonylamino]ethylamino]-2-oxooxolane.
What is the SMILES notation for 3-[2-[3-[oxido(trifluoromethylsulfonyl)azaniumyl]sulfonylpropylsulfonylamino]ethylamino]-2-oxooxolane?
The canonical SMILES for 3-[2-[3-[oxido(trifluoromethylsulfonyl)azaniumyl]sulfonylpropylsulfonylamino]ethylamino]-2-oxooxolane is O=C1OCCC1NCCNS(=O)(=O)CCCS(=O)(=O)[NH+]([O-])S(=O)(=O)C(F)(F)F.
What is the InChIKey of 3-[2-[3-[oxido(trifluoromethylsulfonyl)azaniumyl]sulfonylpropylsulfonylamino]ethylamino]-2-oxooxolane?
The InChIKey is NYDFMRUOLFCBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O9S3/c11-10(12,13)28(23,24)16(18)27(21,22)7-1-6-26(19,20)15-4-3-14-8-2-5-25-9(8)17/h8,14-16H,1-7H2.
What are the key properties of 3-[2-[3-[oxido(trifluoromethylsulfonyl)azaniumyl]sulfonylpropylsulfonylamino]ethylamino]-2-oxooxolane?
3-[2-[3-[oxido(trifluoromethylsulfonyl)azaniumyl]sulfonylpropylsulfonylamino]ethylamino]-2-oxooxolane has a molecular weight of 477.46 g/mol, XLogP of -3.24, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[oxido(trifluoromethylsulfonyl)azaniumyl]sulfonylpropylsulfonylamino]ethylamino]-2-oxooxolane is sourced from PubChem (CID 163824344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).