1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide

C9H17F3N2O3S — CID 63869486

IUPAC1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide
SMILESO=S(=O)(NCCCOC1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O3S/c10-9(11,12)18(15,16)14-4-1-7-17-8-2-5-13-6-3-8/h8,13-14H,1-7H2
InChIKeyZOJIGUHUMNMFJH-UHFFFAOYSA-N
MW290.31 g/mol
LogP0.58
Rot. Bonds6

About 1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide

1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide (PubChem CID 63869486) has the molecular formula C9H17F3N2O3S and a molecular weight of 290.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide
PubChem CID63869486
Molecular FormulaC9H17F3N2O3S
Molecular Weight290.31 g/mol
Exact Mass290.09
IUPAC Name1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide
SMILESO=S(=O)(NCCCOC1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O3S/c10-9(11,12)18(15,16)14-4-1-7-17-8-2-5-13-6-3-8/h8,13-14H,1-7H2
InChIKeyZOJIGUHUMNMFJH-UHFFFAOYSA-N
XLogP0.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
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 1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide (CID 63869486) is 1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide is O=S(=O)(NCCCOC1CCNCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide?
The InChIKey is ZOJIGUHUMNMFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3S/c10-9(11,12)18(15,16)14-4-1-7-17-8-2-5-13-6-3-8/h8,13-14H,1-7H2.
What are the key properties of 1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide?
1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide has a molecular weight of 290.31 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(3-piperidin-4-yloxypropyl)methanesulfonamide is sourced from PubChem (CID 63869486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).