1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide

C10H19F3N2O3S — CID 63827272

IUPAC1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)NCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3S/c11-10(12,13)8-18-6-5-15-19(16,17)7-9-3-1-2-4-14-9/h9,14-15H,1-8H2
InChIKeyFIQXTLBSQUTDEZ-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.63
Rot. Bonds7

About 1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide

1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide (PubChem CID 63827272) has the molecular formula C10H19F3N2O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide
PubChem CID63827272
Molecular FormulaC10H19F3N2O3S
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)NCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3S/c11-10(12,13)8-18-6-5-15-19(16,17)7-9-3-1-2-4-14-9/h9,14-15H,1-8H2
InChIKeyFIQXTLBSQUTDEZ-UHFFFAOYSA-N
XLogP0.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.63
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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Related Compounds

N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 106638477
N-(3-cyclopentylpropyl)-1-piperidin-2-ylmethanesulfonamide
CID 106013597
2-(2,2,2-trifluoroethoxymethyl)piperidine
CID 24702991
N-(2-methoxyethyl)-2-piperidin-2-ylethanesulfonamide
CID 60865631
2-[2-(2-piperidin-2-ylethylsulfonylamino)ethoxy]acetamide
CID 106237551
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide
CID 54471694
N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide
CID 102699220
2-ethoxy-N-(2-piperidin-2-ylethyl)ethanesulfonamide
CID 63245561
N-[2-(2-aminoethoxy)ethyl]-1-cyclopropylmethanesulfonamide
CID 64989285
N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209753
N-(2-piperidin-2-ylethyl)propane-1-sulfonamide
CID 24703797

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide?
The IUPAC name of 1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide (CID 63827272) is 1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide.
What is the SMILES notation for 1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide?
The canonical SMILES for 1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide is O=S(=O)(CC1CCCCN1)NCCOCC(F)(F)F.
What is the InChIKey of 1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide?
The InChIKey is FIQXTLBSQUTDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3S/c11-10(12,13)8-18-6-5-15-19(16,17)7-9-3-1-2-4-14-9/h9,14-15H,1-8H2.
What are the key properties of 1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide?
1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide has a molecular weight of 304.33 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide is sourced from PubChem (CID 63827272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).