4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride

C10H20ClF3N2O2S — CID 120874709

IUPAC4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(CCCC(F)(F)F)NCC1CCCNC1
InChIInChI=1S/C10H19F3N2O2S.ClH/c11-10(12,13)4-2-6-18(16,17)15-8-9-3-1-5-14-7-9;/h9,14-15H,1-8H2;1H
InChIKeyYLVNEEFGTSZRDL-UHFFFAOYSA-N
MW324.80 g/mol
LogP1.67
Rot. Bonds6

About 4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride

4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride (PubChem CID 120874709) has the molecular formula C10H20ClF3N2O2S and a molecular weight of 324.80 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride
PubChem CID120874709
Molecular FormulaC10H20ClF3N2O2S
Molecular Weight324.80 g/mol
Exact Mass324.09
IUPAC Name4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(CCCC(F)(F)F)NCC1CCCNC1
InChIInChI=1S/C10H19F3N2O2S.ClH/c11-10(12,13)4-2-6-18(16,17)15-8-9-3-1-5-14-7-9;/h9,14-15H,1-8H2;1H
InChIKeyYLVNEEFGTSZRDL-UHFFFAOYSA-N
XLogP1.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.80
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-N-(pyrrolidin-3-ylmethyl)butane-1-sulfonamide
CID 83060140
N-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide
CID 124681889
3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
CID 63855498
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride
CID 119968659
1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968538
N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride
CID 119968808
N-(piperidin-3-ylmethylsulfamoyl)propan-2-amine
CID 114807423
N-(4,4,4-trifluorobutyl)piperidine-3-sulfonamide
CID 113327829
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide;hydrochloride
CID 119979578
3-[[[cyclopropylmethyl(methyl)sulfamoyl]amino]methyl]piperidine
CID 119968280
1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 119968379

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride?
The IUPAC name of 4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride (CID 120874709) is 4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride.
What is the SMILES notation for 4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride?
The canonical SMILES for 4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride is Cl.O=S(=O)(CCCC(F)(F)F)NCC1CCCNC1.
What is the InChIKey of 4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride?
The InChIKey is YLVNEEFGTSZRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S.ClH/c11-10(12,13)4-2-6-18(16,17)15-8-9-3-1-5-14-7-9;/h9,14-15H,1-8H2;1H.
What are the key properties of 4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride?
4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride has a molecular weight of 324.80 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120874709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).