N-benzyl-2-piperidin-4-ylethanesulfonamide

C14H22N2O2S — CID 60890567

IUPACN-benzyl-2-piperidin-4-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCNCC1)NCc1ccccc1
InChIInChI=1S/C14H22N2O2S/c17-19(18,11-8-13-6-9-15-10-7-13)16-12-14-4-2-1-3-5-14/h1-5,13,15-16H,6-12H2
InChIKeyOXOJOOBYKBZFGP-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.50
Rot. Bonds6

About N-benzyl-2-piperidin-4-ylethanesulfonamide

N-benzyl-2-piperidin-4-ylethanesulfonamide (PubChem CID 60890567) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-benzyl-2-piperidin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-piperidin-4-ylethanesulfonamide
PubChem CID60890567
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-benzyl-2-piperidin-4-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCNCC1)NCc1ccccc1
InChIInChI=1S/C14H22N2O2S/c17-19(18,11-8-13-6-9-15-10-7-13)16-12-14-4-2-1-3-5-14/h1-5,13,15-16H,6-12H2
InChIKeyOXOJOOBYKBZFGP-UHFFFAOYSA-N
XLogP1.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide
CID 61236571
N-phenyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115047411
N-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119723701
N-benzylpyrrolidine-3-sulfonamide
CID 65420907
N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892291
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-4-ylethanesulfonamide
CID 106303221
N-(3-cyclopentylpropyl)-2-piperidin-4-ylethanesulfonamide
CID 106016429
2-(azetidin-2-yl)-N-[(4-chlorophenyl)methyl]ethanesulfonamide
CID 115071344
N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892098
N-benzyl-2-methylpropan-2-amine;piperidin-4-amine
CID 158253019
N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide
CID 62691627
N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide
CID 119977448

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-piperidin-4-ylethanesulfonamide?
The IUPAC name of N-benzyl-2-piperidin-4-ylethanesulfonamide (CID 60890567) is N-benzyl-2-piperidin-4-ylethanesulfonamide.
What is the SMILES notation for N-benzyl-2-piperidin-4-ylethanesulfonamide?
The canonical SMILES for N-benzyl-2-piperidin-4-ylethanesulfonamide is O=S(=O)(CCC1CCNCC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-piperidin-4-ylethanesulfonamide?
The InChIKey is OXOJOOBYKBZFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c17-19(18,11-8-13-6-9-15-10-7-13)16-12-14-4-2-1-3-5-14/h1-5,13,15-16H,6-12H2.
What are the key properties of N-benzyl-2-piperidin-4-ylethanesulfonamide?
N-benzyl-2-piperidin-4-ylethanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-piperidin-4-ylethanesulfonamide is sourced from PubChem (CID 60890567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).