4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide

C10H19F3N2O3S — CID 115522645

IUPAC4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCCCC(F)(F)F)N1CCC(CO)CC1
InChIInChI=1S/C10H19F3N2O3S/c11-10(12,13)4-1-5-14-19(17,18)15-6-2-9(8-16)3-7-15/h9,14,16H,1-8H2
InChIKeyUCJQWYPHKKHMGV-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.87
Rot. Bonds6

About 4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide

4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide (PubChem CID 115522645) has the molecular formula C10H19F3N2O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
PubChem CID115522645
Molecular FormulaC10H19F3N2O3S
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCCCC(F)(F)F)N1CCC(CO)CC1
InChIInChI=1S/C10H19F3N2O3S/c11-10(12,13)4-1-5-14-19(17,18)15-6-2-9(8-16)3-7-15/h9,14,16H,1-8H2
InChIKeyUCJQWYPHKKHMGV-UHFFFAOYSA-N
XLogP0.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.87
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-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide
CID 106433638
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide
CID 115522886
N-(2,2-difluoroethyl)-4-(hydroxymethyl)piperidine-1-sulfonamide
CID 115408987
2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
CID 115522853
3-(hydroxymethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114815642
[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol
CID 83059984
4-(ethylaminomethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 106053929
4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide
CID 114132361
4-(aminomethyl)-N-(3-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106066178
4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106016881
N-(2-cyclohexylethyl)piperazine-1-sulfonamide
CID 54932858
4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide
CID 107818664

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide (CID 115522645) is 4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide is O=S(=O)(NCCCC(F)(F)F)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide?
The InChIKey is UCJQWYPHKKHMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3S/c11-10(12,13)4-1-5-14-19(17,18)15-6-2-9(8-16)3-7-15/h9,14,16H,1-8H2.
What are the key properties of 4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide?
4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide has a molecular weight of 304.33 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide is sourced from PubChem (CID 115522645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).