1,1,1-trifluoro-N-[(3S)-piperidin-3-yl]methanesulfonamide

C6H11F3N2O2S — CID 71173022

IUPAC1,1,1-trifluoro-N-[(3S)-piperidin-3-yl]methanesulfonamide
SMILESO=S(=O)(N[C@H]1CCCNC1)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/t5-/m0/s1
InChIKeyPEUWKCQWNCIJNV-YFKPBYRVSA-N
MW232.23 g/mol
LogP0.18
Rot. Bonds2

About 1,1,1-trifluoro-N-[(3S)-piperidin-3-yl]methanesulfonamide

1,1,1-trifluoro-N-[(3S)-piperidin-3-yl]methanesulfonamide (PubChem CID 71173022) has the molecular formula C6H11F3N2O2S and a molecular weight of 232.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(3S)-piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(3S)-piperidin-3-yl]methanesulfonamide
PubChem CID71173022
Molecular FormulaC6H11F3N2O2S
Molecular Weight232.23 g/mol
Exact Mass232.05
IUPAC Name1,1,1-trifluoro-N-[(3S)-piperidin-3-yl]methanesulfonamide
SMILESO=S(=O)(N[C@H]1CCCNC1)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/t5-/m0/s1
InChIKeyPEUWKCQWNCIJNV-YFKPBYRVSA-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-[(3S)-piperidin-3-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(3S)-piperidin-3-yl]methanesulfonamide (CID 71173022) is 1,1,1-trifluoro-N-[(3S)-piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(3S)-piperidin-3-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(3S)-piperidin-3-yl]methanesulfonamide is O=S(=O)(N[C@H]1CCCNC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(3S)-piperidin-3-yl]methanesulfonamide?
The InChIKey is PEUWKCQWNCIJNV-YFKPBYRVSA-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/t5-/m0/s1.
What are the key properties of 1,1,1-trifluoro-N-[(3S)-piperidin-3-yl]methanesulfonamide?
1,1,1-trifluoro-N-[(3S)-piperidin-3-yl]methanesulfonamide 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-[(3S)-piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 71173022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).