N-(4,4,4-trifluorobutyl)piperidine-3-sulfonamide

C9H17F3N2O2S — CID 113327829

IUPACN-(4,4,4-trifluorobutyl)piperidine-3-sulfonamide
SMILESO=S(=O)(NCCCC(F)(F)F)C1CCCNC1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)4-2-6-14-17(15,16)8-3-1-5-13-7-8/h8,13-14H,1-7H2
InChIKeyULFUXBPPGBKCQX-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.00
Rot. Bonds5

About N-(4,4,4-trifluorobutyl)piperidine-3-sulfonamide

N-(4,4,4-trifluorobutyl)piperidine-3-sulfonamide (PubChem CID 113327829) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)piperidine-3-sulfonamide
PubChem CID113327829
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC NameN-(4,4,4-trifluorobutyl)piperidine-3-sulfonamide
SMILESO=S(=O)(NCCCC(F)(F)F)C1CCCNC1
InChIInChI=1S/C9H17F3N2O2S/c10-9(11,12)4-2-6-14-17(15,16)8-3-1-5-13-7-8/h8,13-14H,1-7H2
InChIKeyULFUXBPPGBKCQX-UHFFFAOYSA-N
XLogP1.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.00
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

N-(7-methyloctyl)piperidine-3-sulfonamide
CID 107816777
N-(3-methylbutyl)piperidine-3-sulfonamide
CID 24702359
N-[2-(dimethylamino)ethyl]piperidine-3-sulfonamide
CID 24699413
N-[2-[ethyl(methyl)amino]ethyl]piperidine-3-sulfonamide
CID 62636011
N-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide
CID 114134808
N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 115516260
N-(3-sulfamoylpropyl)pyrrolidine-3-sulfonamide
CID 65422646
N-(2-cyclohexylethyl)pyrrolidine-3-sulfonamide
CID 65421145
N-(2-but-3-enoxyethyl)piperidine-3-sulfonamide
CID 106402434
4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride
CID 120874709
N-(2-methoxypropyl)piperidine-3-sulfonamide
CID 102699245
N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-3-sulfonamide
CID 106049253

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutyl)piperidine-3-sulfonamide?
The IUPAC name of N-(4,4,4-trifluorobutyl)piperidine-3-sulfonamide (CID 113327829) is N-(4,4,4-trifluorobutyl)piperidine-3-sulfonamide.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)piperidine-3-sulfonamide?
The canonical SMILES for N-(4,4,4-trifluorobutyl)piperidine-3-sulfonamide is O=S(=O)(NCCCC(F)(F)F)C1CCCNC1.
What is the InChIKey of N-(4,4,4-trifluorobutyl)piperidine-3-sulfonamide?
The InChIKey is ULFUXBPPGBKCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c10-9(11,12)4-2-6-14-17(15,16)8-3-1-5-13-7-8/h8,13-14H,1-7H2.
What are the key properties of N-(4,4,4-trifluorobutyl)piperidine-3-sulfonamide?
N-(4,4,4-trifluorobutyl)piperidine-3-sulfonamide has a molecular weight of 274.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutyl)piperidine-3-sulfonamide is sourced from PubChem (CID 113327829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).