3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide

C15H23N3O3S — CID 125007656

IUPAC3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide
SMILESCCS(=O)(=O)N1CCN(C)[C@H](c2cccc(C(=O)NC)c2)C1
InChIInChI=1S/C15H23N3O3S/c1-4-22(20,21)18-9-8-17(3)14(11-18)12-6-5-7-13(10-12)15(19)16-2/h5-7,10,14H,4,8-9,11H2,1-3H3,(H,16,19)/t14-/m0/s1
InChIKeyUPGBOGWGPCAYDU-AWEZNQCLSA-N
MW325.43 g/mol
LogP0.68
Rot. Bonds4

About 3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide

3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide (PubChem CID 125007656) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide
PubChem CID125007656
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide
SMILESCCS(=O)(=O)N1CCN(C)[C@H](c2cccc(C(=O)NC)c2)C1
InChIInChI=1S/C15H23N3O3S/c1-4-22(20,21)18-9-8-17(3)14(11-18)12-6-5-7-13(10-12)15(19)16-2/h5-7,10,14H,4,8-9,11H2,1-3H3,(H,16,19)/t14-/m0/s1
InChIKeyUPGBOGWGPCAYDU-AWEZNQCLSA-N
XLogP0.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide 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

N-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide
CID 124984397
3-[4-(2-hydroxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110258018
3-[(2R)-4-(2-methoxyethyl)-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 95826819
N-methyl-3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)benzamide
CID 110258484
3-[(2R)-4-[2-(benzhydrylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 129456366
N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide
CID 125001060
N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide
CID 124942684
1-methyl-2-phenyl-4-propylsulfonylpiperazine
CID 110418547
3-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110122390
3-[4-[2-(3-chloro-4-morpholin-4-ylanilino)-2-oxoethyl]-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 110122298
formic acid;N-methyl-3-[1-methyl-4-[(3-methyl-2-pyridinyl)methyl]piperazin-2-yl]benzamide
CID 171688369
3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide
CID 110632012

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide?
The IUPAC name of 3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide (CID 125007656) is 3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide is CCS(=O)(=O)N1CCN(C)[C@H](c2cccc(C(=O)NC)c2)C1.
What is the InChIKey of 3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide?
The InChIKey is UPGBOGWGPCAYDU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-4-22(20,21)18-9-8-17(3)14(11-18)12-6-5-7-13(10-12)15(19)16-2/h5-7,10,14H,4,8-9,11H2,1-3H3,(H,16,19)/t14-/m0/s1.
What are the key properties of 3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide?
3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide has a molecular weight of 325.43 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide is sourced from PubChem (CID 125007656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).