4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide

C15H22N2O3S — CID 120574136

IUPAC4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NC2CCCNC2C)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-21(19,20)13-8-6-12(7-9-13)15(18)17-14-5-4-10-16-11(14)2/h6-9,11,14,16H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyKUJGIYYJRZUUCK-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.35
Rot. Bonds4

About 4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide

4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 120574136) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID120574136
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NC2CCCNC2C)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-21(19,20)13-8-6-12(7-9-13)15(18)17-14-5-4-10-16-11(14)2/h6-9,11,14,16H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyKUJGIYYJRZUUCK-UHFFFAOYSA-N
XLogP1.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574271
4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574947
4-(cyclopropylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576685
N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride
CID 120577071
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120577350
4-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574887
1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride
CID 120575205
4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide
CID 120573277
4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-methylpiperidin-3-yl)benzamide;dihydrochloride
CID 120576871
4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574690
4-(3-methoxypropoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 120575755

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide (CID 120574136) is 4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide is CCS(=O)(=O)c1ccc(C(=O)NC2CCCNC2C)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is KUJGIYYJRZUUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-21(19,20)13-8-6-12(7-9-13)15(18)17-14-5-4-10-16-11(14)2/h6-9,11,14,16H,3-5,10H2,1-2H3,(H,17,18).
What are the key properties of 4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide?
4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide has a molecular weight of 310.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 120574136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).