N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide

C15H24N2O2S — CID 47454552

IUPACN-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H24N2O2S/c1-2-20(18,19)16-11-15-9-6-10-17(13-15)12-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3
InChIKeyMWPQXTQOFGMAQH-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.84
Rot. Bonds6

About N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide

N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide (PubChem CID 47454552) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
PubChem CID47454552
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H24N2O2S/c1-2-20(18,19)16-11-15-9-6-10-17(13-15)12-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3
InChIKeyMWPQXTQOFGMAQH-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-benzylpiperidin-3-yl]methyl]propane-1-sulfonamide
CID 94816598
N-[[(3S)-1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 97275202
N-[[1-[(5-chlorofuran-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 72876889
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 72910147
N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 26399178
N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide
CID 95211899
N-[[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]-1-phenylmethanesulfonamide
CID 45198431
N-[2-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]ethyl]ethanesulfonamide
CID 95212770
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
1-phenyl-N-[[(3S)-1-propylsulfonylpiperidin-3-yl]methyl]methanesulfonamide
CID 97273714
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide (CID 47454552) is N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide?
The InChIKey is MWPQXTQOFGMAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-20(18,19)16-11-15-9-6-10-17(13-15)12-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3.
What are the key properties of N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide?
N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-3-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 47454552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).