2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride

C15H25ClN2O2S — CID 119970304

IUPAC2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride
SMILESCC(NS(=O)(=O)CCc1ccccc1)C1CCCNC1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-13(15-8-5-10-16-12-15)17-20(18,19)11-9-14-6-3-2-4-7-14;/h2-4,6-7,13,15-17H,5,8-12H2,1H3;1H
InChIKeyCJHIJNVBLFKJOC-UHFFFAOYSA-N
MW332.90 g/mol
LogP1.96
Rot. Bonds6

About 2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride

2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride (PubChem CID 119970304) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is 2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride
PubChem CID119970304
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC Name2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride
SMILESCC(NS(=O)(=O)CCc1ccccc1)C1CCCNC1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-13(15-8-5-10-16-12-15)17-20(18,19)11-9-14-6-3-2-4-7-14;/h2-4,6-7,13,15-17H,5,8-12H2,1H3;1H
InChIKeyCJHIJNVBLFKJOC-UHFFFAOYSA-N
XLogP1.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43523463
1-benzyl-3-(1-piperidin-3-ylethyl)urea
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N-[2-(benzylsulfamoyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119723676
ethyl 3-(1-piperidin-3-ylethylsulfamoyl)propanoate
CID 62047075
2-(1-piperidin-3-ylethylamino)benzenesulfonamide
CID 62046742
N-(1-piperidin-3-ylethyl)furan-2-sulfonamide
CID 120874778
N-[2-oxo-2-(1-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119474128
1-(oxan-2-yl)-N-(1-piperidin-3-ylethyl)methanesulfonamide;hydrochloride
CID 119970218
3-(1-fluoro-3-phenylpropyl)piperidine
CID 83855350
N-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 103976958
2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride
CID 119974202
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride?
The IUPAC name of 2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride (CID 119970304) is 2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride.
What is the SMILES notation for 2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride?
The canonical SMILES for 2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride is CC(NS(=O)(=O)CCc1ccccc1)C1CCCNC1.Cl.
What is the InChIKey of 2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride?
The InChIKey is CJHIJNVBLFKJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S.ClH/c1-13(15-8-5-10-16-12-15)17-20(18,19)11-9-14-6-3-2-4-7-14;/h2-4,6-7,13,15-17H,5,8-12H2,1H3;1H.
What are the key properties of 2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride?
2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride has a molecular weight of 332.90 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride is sourced from PubChem (CID 119970304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).