3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

C11H21F3N2O3S — CID 63289803

IUPAC3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H21F3N2O3S/c1-19-7-2-8-20(17,18)16(9-11(12,13)14)10-3-5-15-6-4-10/h10,15H,2-9H2,1H3
InChIKeyOBZXLVSLMPGDEK-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.97
Rot. Bonds7

About 3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 63289803) has the molecular formula C11H21F3N2O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID63289803
Molecular FormulaC11H21F3N2O3S
Molecular Weight318.36 g/mol
Exact Mass318.12
IUPAC Name3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCOCCCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H21F3N2O3S/c1-19-7-2-8-20(17,18)16(9-11(12,13)14)10-3-5-15-6-4-10/h10,15H,2-9H2,1H3
InChIKeyOBZXLVSLMPGDEK-UHFFFAOYSA-N
XLogP0.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of 3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 63289803) is 3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for 3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is COCCCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is OBZXLVSLMPGDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O3S/c1-19-7-2-8-20(17,18)16(9-11(12,13)14)10-3-5-15-6-4-10/h10,15H,2-9H2,1H3.
What are the key properties of 3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 318.36 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 63289803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).