1,1,1-trifluoro-N-(1-methylpiperidin-4-yl)methanesulfonamide

C7H13F3N2O2S — CID 58960895

IUPAC1,1,1-trifluoro-N-(1-methylpiperidin-4-yl)methanesulfonamide
SMILESCN1CCC(NS(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2O2S/c1-12-4-2-6(3-5-12)11-15(13,14)7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyYMMXLMJYTZIMHD-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.52
Rot. Bonds2

About 1,1,1-trifluoro-N-(1-methylpiperidin-4-yl)methanesulfonamide

1,1,1-trifluoro-N-(1-methylpiperidin-4-yl)methanesulfonamide (PubChem CID 58960895) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(1-methylpiperidin-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(1-methylpiperidin-4-yl)methanesulfonamide
PubChem CID58960895
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name1,1,1-trifluoro-N-(1-methylpiperidin-4-yl)methanesulfonamide
SMILESCN1CCC(NS(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2O2S/c1-12-4-2-6(3-5-12)11-15(13,14)7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyYMMXLMJYTZIMHD-UHFFFAOYSA-N
XLogP0.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(1-methylpiperidin-4-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(1-methylpiperidin-4-yl)methanesulfonamide (CID 58960895) is 1,1,1-trifluoro-N-(1-methylpiperidin-4-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(1-methylpiperidin-4-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(1-methylpiperidin-4-yl)methanesulfonamide is CN1CCC(NS(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1-trifluoro-N-(1-methylpiperidin-4-yl)methanesulfonamide?
The InChIKey is YMMXLMJYTZIMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c1-12-4-2-6(3-5-12)11-15(13,14)7(8,9)10/h6,11H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-(1-methylpiperidin-4-yl)methanesulfonamide?
1,1,1-trifluoro-N-(1-methylpiperidin-4-yl)methanesulfonamide has a molecular weight of 246.25 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(1-methylpiperidin-4-yl)methanesulfonamide is sourced from PubChem (CID 58960895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).