4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide

C10H20F3N3O2S — CID 114803126

IUPAC4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESCNC(C)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3O2S/c1-8(14-2)9-3-5-16(6-4-9)19(17,18)15-7-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3
InChIKeyIKDUSXDLNGFAHM-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.70
Rot. Bonds5

About 4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide

4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (PubChem CID 114803126) has the molecular formula C10H20F3N3O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
PubChem CID114803126
Molecular FormulaC10H20F3N3O2S
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC Name4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESCNC(C)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3O2S/c1-8(14-2)9-3-5-16(6-4-9)19(17,18)15-7-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3
InChIKeyIKDUSXDLNGFAHM-UHFFFAOYSA-N
XLogP0.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-propan-2-yl-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 106982852
3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 114808689
(3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 104978203
(3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 102984427
N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 103465953
4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 166233808
N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]ethanamine
CID 63853081
4-(3-aminopropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 114803495
3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107323993
2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 55256658
3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 104978049
1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylethanamine
CID 63855243

Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The IUPAC name of 4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (CID 114803126) is 4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is CNC(C)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The InChIKey is IKDUSXDLNGFAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c1-8(14-2)9-3-5-16(6-4-9)19(17,18)15-7-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3.
What are the key properties of 4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide has a molecular weight of 303.35 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 114803126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).