4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide

C12H24F3N3O2S — CID 115522886

IUPAC4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCCCCC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3O2S/c1-16-10-11-4-8-18(9-5-11)21(19,20)17-7-3-2-6-12(13,14)15/h11,16-17H,2-10H2,1H3
InChIKeyHQYHILPRXOECJP-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.48
Rot. Bonds8

About 4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide

4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide (PubChem CID 115522886) has the molecular formula C12H24F3N3O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide
PubChem CID115522886
Molecular FormulaC12H24F3N3O2S
Molecular Weight331.40 g/mol
Exact Mass331.15
IUPAC Name4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCCCCC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3O2S/c1-16-10-11-4-8-18(9-5-11)21(19,20)17-7-3-2-6-12(13,14)15/h11,16-17H,2-10H2,1H3
InChIKeyHQYHILPRXOECJP-UHFFFAOYSA-N
XLogP1.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078188
N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106092792
4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
CID 115522645
4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093759
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174
N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 103465953
N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094248
4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106053929
N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106091032
4-[(cyclopropylamino)methyl]-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106017048
N-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine
CID 63263924
4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide
CID 106050085

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide (CID 115522886) is 4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)NCCCCC(F)(F)F)CC1.
What is the InChIKey of 4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide?
The InChIKey is HQYHILPRXOECJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O2S/c1-16-10-11-4-8-18(9-5-11)21(19,20)17-7-3-2-6-12(13,14)15/h11,16-17H,2-10H2,1H3.
What are the key properties of 4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide?
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide is sourced from PubChem (CID 115522886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).