1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide

C8H15F3N2O2S — CID 54471694

IUPAC1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCCC1CCCCN1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)16(14,15)13-6-4-7-3-1-2-5-12-7/h7,12-13H,1-6H2
InChIKeyXIULDYIKBPDEHN-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.96
Rot. Bonds4

About 1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide

1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide (PubChem CID 54471694) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide
PubChem CID54471694
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Name1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCCC1CCCCN1)C(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)16(14,15)13-6-4-7-3-1-2-5-12-7/h7,12-13H,1-6H2
InChIKeyXIULDYIKBPDEHN-UHFFFAOYSA-N
XLogP0.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-2-ylethyl)propane-1-sulfonamide
CID 24703797
N-(2-piperidin-2-ylethylsulfamoyl)propan-2-amine
CID 114807445
(2S)-2-[2-(sulfamoylamino)ethyl]pyrrolidine
CID 104985745
2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propan-2-amine
CID 104978184
2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid
CID 114794124
2-piperidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)ethanesulfonamide
CID 106293105
2-pentylpiperidine;trifluoromethanesulfonic acid
CID 175583760
2-cyclopentyl-N-(2-piperidin-2-ylethyl)ethanamine
CID 115211186
N-[2-(1,1-dioxothian-4-yl)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 163494699
2-ethoxy-N-(2-piperidin-2-ylethyl)ethanesulfonamide
CID 63245561
3-[2-[(2S)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972731
3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972503

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide (CID 54471694) is 1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide is O=S(=O)(NCCC1CCCCN1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide?
The InChIKey is XIULDYIKBPDEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c9-8(10,11)16(14,15)13-6-4-7-3-1-2-5-12-7/h7,12-13H,1-6H2.
What are the key properties of 1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide has a molecular weight of 260.28 g/mol, XLogP of 0.96, 4 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-(2-piperidin-2-ylethyl)methanesulfonamide is sourced from PubChem (CID 54471694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).