N-(1-benzylpiperidin-4-yl)ethanesulfonamide

C14H22N2O2S — CID 2422964

IUPACN-(1-benzylpiperidin-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-2-19(17,18)15-14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3
InChIKeyORPNYULHOMMKMZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.59
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)ethanesulfonamide

N-(1-benzylpiperidin-4-yl)ethanesulfonamide (PubChem CID 2422964) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)ethanesulfonamide
PubChem CID2422964
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(1-benzylpiperidin-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-2-19(17,18)15-14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3
InChIKeyORPNYULHOMMKMZ-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)ethanesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)ethanesulfonamide (CID 2422964) is N-(1-benzylpiperidin-4-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)ethanesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)ethanesulfonamide is CCS(=O)(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)ethanesulfonamide?
The InChIKey is ORPNYULHOMMKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-19(17,18)15-14-8-10-16(11-9-14)12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)ethanesulfonamide?
N-(1-benzylpiperidin-4-yl)ethanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)ethanesulfonamide is sourced from PubChem (CID 2422964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).