[3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone

C17H23NO3S — CID 110661911

IUPAC[3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCCC(CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H23NO3S/c19-17(15-7-4-8-15)18-11-5-6-14(12-18)13-22(20,21)16-9-2-1-3-10-16/h1-3,9-10,14-15H,4-8,11-13H2
InChIKeyIUBUCCKIRGKMMD-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.50
Rot. Bonds4

About [3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone

[3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone (PubChem CID 110661911) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is [3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone
PubChem CID110661911
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Name[3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCCC(CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H23NO3S/c19-17(15-7-4-8-15)18-11-5-6-14(12-18)13-22(20,21)16-9-2-1-3-10-16/h1-3,9-10,14-15H,4-8,11-13H2
InChIKeyIUBUCCKIRGKMMD-UHFFFAOYSA-N
XLogP2.50
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone 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

[4-(benzenesulfonylmethyl)piperidin-1-yl]-cyclopentylmethanone
CID 110661946
[3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110661896
[3-(benzenesulfonylmethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110661869
methyl 4-[3-(benzenesulfonylmethyl)piperidin-1-yl]-4-oxobutanoate
CID 110661884
[4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone
CID 90589335
[1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397032
[4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone
CID 90589378
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
2,3-dihydro-1H-inden-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 106703940
cyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone
CID 110672442
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 42910389

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone (CID 110661911) is [3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone is O=C(C1CCC1)N1CCCC(CS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of [3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone?
The InChIKey is IUBUCCKIRGKMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3S/c19-17(15-7-4-8-15)18-11-5-6-14(12-18)13-22(20,21)16-9-2-1-3-10-16/h1-3,9-10,14-15H,4-8,11-13H2.
What are the key properties of [3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone?
[3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone has a molecular weight of 321.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonylmethyl)piperidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 110661911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).