N-methyl-2-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]sulfonylacetamide

C11H15F5N2O4S — CID 90592773

IUPACN-methyl-2-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C11H15F5N2O4S/c1-17-8(19)6-23(21,22)7-2-4-18(5-3-7)9(20)10(12,13)11(14,15)16/h7H,2-6H2,1H3,(H,17,19)
InChIKeyJVUYRGSKDULUKK-UHFFFAOYSA-N
MW366.31 g/mol
LogP0.34
Rot. Bonds4

About N-methyl-2-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]sulfonylacetamide

N-methyl-2-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]sulfonylacetamide (PubChem CID 90592773) has the molecular formula C11H15F5N2O4S and a molecular weight of 366.31 g/mol. Its IUPAC name is N-methyl-2-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]sulfonylacetamide
PubChem CID90592773
Molecular FormulaC11H15F5N2O4S
Molecular Weight366.31 g/mol
Exact Mass366.07
IUPAC NameN-methyl-2-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C11H15F5N2O4S/c1-17-8(19)6-23(21,22)7-2-4-18(5-3-7)9(20)10(12,13)11(14,15)16/h7H,2-6H2,1H3,(H,17,19)
InChIKeyJVUYRGSKDULUKK-UHFFFAOYSA-N
XLogP0.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]sulfonylacetamide?
The IUPAC name of N-methyl-2-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]sulfonylacetamide (CID 90592773) is N-methyl-2-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]sulfonylacetamide.
What is the SMILES notation for N-methyl-2-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]sulfonylacetamide?
The canonical SMILES for N-methyl-2-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]sulfonylacetamide is CNC(=O)CS(=O)(=O)C1CCN(C(=O)C(F)(F)C(F)(F)F)CC1.
What is the InChIKey of N-methyl-2-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]sulfonylacetamide?
The InChIKey is JVUYRGSKDULUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5N2O4S/c1-17-8(19)6-23(21,22)7-2-4-18(5-3-7)9(20)10(12,13)11(14,15)16/h7H,2-6H2,1H3,(H,17,19).
What are the key properties of N-methyl-2-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]sulfonylacetamide?
N-methyl-2-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]sulfonylacetamide has a molecular weight of 366.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]sulfonylacetamide is sourced from PubChem (CID 90592773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).