[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone

C20H30N2O3S — CID 109065536

IUPAC[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C20H30N2O3S/c1-3-18-10-4-5-13-22(18)26(24,25)19-11-6-9-17(14-19)20(23)21-12-7-8-16(2)15-21/h6,9,11,14,16,18H,3-5,7-8,10,12-13,15H2,1-2H3
InChIKeyOVKVDEJFPWVASL-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.51
Rot. Bonds4

About [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone

[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109065536) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109065536
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C20H30N2O3S/c1-3-18-10-4-5-13-22(18)26(24,25)19-11-6-9-17(14-19)20(23)21-12-7-8-16(2)15-21/h6,9,11,14,16,18H,3-5,7-8,10,12-13,15H2,1-2H3
InChIKeyOVKVDEJFPWVASL-UHFFFAOYSA-N
XLogP3.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 47952525
(2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109065552
N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 46798331
1-[4-[3-(3-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 18280417
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 119486439
1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 83045893
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
1-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 75400479
3-(2-ethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 43266562
3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 109065546

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone (CID 109065536) is [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone is CCC1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCCC(C)C2)c1.
What is the InChIKey of [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is OVKVDEJFPWVASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-3-18-10-4-5-13-22(18)26(24,25)19-11-6-9-17(14-19)20(23)21-12-7-8-16(2)15-21/h6,9,11,14,16,18H,3-5,7-8,10,12-13,15H2,1-2H3.
What are the key properties of [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone?
[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 378.54 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109065536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).