3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide

C12H20F3N3O8S3 — CID 129309045

IUPAC3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
SMILESO=C1OCCC1N1CCN(S(=O)(=O)CCCS(=O)(=O)NS(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O8S3/c13-12(14,15)29(24,25)16-27(20,21)8-1-9-28(22,23)18-5-3-17(4-6-18)10-2-7-26-11(10)19/h10,16H,1-9H2
InChIKeyWNPPDOQOOVMHGX-UHFFFAOYSA-N
MW487.50 g/mol
LogP-1.59
Rot. Bonds8

About 3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide

3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide (PubChem CID 129309045) has the molecular formula C12H20F3N3O8S3 and a molecular weight of 487.50 g/mol. Its IUPAC name is 3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
PubChem CID129309045
Molecular FormulaC12H20F3N3O8S3
Molecular Weight487.50 g/mol
Exact Mass487.04
IUPAC Name3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
SMILESO=C1OCCC1N1CCN(S(=O)(=O)CCCS(=O)(=O)NS(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O8S3/c13-12(14,15)29(24,25)16-27(20,21)8-1-9-28(22,23)18-5-3-17(4-6-18)10-2-7-26-11(10)19/h10,16H,1-9H2
InChIKeyWNPPDOQOOVMHGX-UHFFFAOYSA-N
XLogP-1.59
TPSA147.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.50
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide?
The IUPAC name of 3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide (CID 129309045) is 3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide.
What is the SMILES notation for 3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide?
The canonical SMILES for 3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide is O=C1OCCC1N1CCN(S(=O)(=O)CCCS(=O)(=O)NS(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of 3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide?
The InChIKey is WNPPDOQOOVMHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O8S3/c13-12(14,15)29(24,25)16-27(20,21)8-1-9-28(22,23)18-5-3-17(4-6-18)10-2-7-26-11(10)19/h10,16H,1-9H2.
What are the key properties of 3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide?
3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide has a molecular weight of 487.50 g/mol, XLogP of -1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide is sourced from PubChem (CID 129309045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).