[3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone

C18H20N2O3S — CID 110661869

IUPAC[3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC(CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H20N2O3S/c21-18(17-10-4-5-11-19-17)20-12-6-7-15(13-20)14-24(22,23)16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14H2
InChIKeyBNDUMMJLPDVXQD-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.41
Rot. Bonds4

About [3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone

[3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 110661869) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is [3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID110661869
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name[3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCCC(CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H20N2O3S/c21-18(17-10-4-5-11-19-17)20-12-6-7-15(13-20)14-24(22,23)16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14H2
InChIKeyBNDUMMJLPDVXQD-UHFFFAOYSA-N
XLogP2.41
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 80660201
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845120
[3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110661896
[3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone
CID 110661911
N-phenyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 75476115
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 62063206
(3S)-N-cyclopentyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 97348588
pyridin-2-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56861683
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 125024711

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone (CID 110661869) is [3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCCC(CS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of [3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is BNDUMMJLPDVXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-18(17-10-4-5-11-19-17)20-12-6-7-15(13-20)14-24(22,23)16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14H2.
What are the key properties of [3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone?
[3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 344.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 110661869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).