1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide

C6H11F3N2O2S — CID 58736222

IUPAC1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide
SMILESO=S(=O)(NC1CCCNC1)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-5-2-1-3-10-4-5/h5,10-11H,1-4H2
InChIKeyPEUWKCQWNCIJNV-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.18
Rot. Bonds2

About 1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide

1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide (PubChem CID 58736222) has the molecular formula C6H11F3N2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide
PubChem CID58736222
Molecular FormulaC6H11F3N2O2S
Molecular Weight232.23 g/mol
Exact Mass232.05
IUPAC Name1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide
SMILESO=S(=O)(NC1CCCNC1)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-5-2-1-3-10-4-5/h5,10-11H,1-4H2
InChIKeyPEUWKCQWNCIJNV-UHFFFAOYSA-N
XLogP0.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide (CID 58736222) is 1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide is O=S(=O)(NC1CCCNC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide?
The InChIKey is PEUWKCQWNCIJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-5-2-1-3-10-4-5/h5,10-11H,1-4H2.
What are the key properties of 1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide?
1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide has a molecular weight of 232.23 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 58736222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).