3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide

C13H21N3O3S — CID 110632012

IUPAC3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCN(C)C(c2cccc(OC)c2)C1
InChIInChI=1S/C13H21N3O3S/c1-14-20(17,18)16-8-7-15(2)13(10-16)11-5-4-6-12(9-11)19-3/h4-6,9,13-14H,7-8,10H2,1-3H3
InChIKeyMUGMMFAZXFNNPU-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.45
Rot. Bonds4

About 3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide

3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide (PubChem CID 110632012) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide
PubChem CID110632012
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCN(C)C(c2cccc(OC)c2)C1
InChIInChI=1S/C13H21N3O3S/c1-14-20(17,18)16-8-7-15(2)13(10-16)11-5-4-6-12(9-11)19-3/h4-6,9,13-14H,7-8,10H2,1-3H3
InChIKeyMUGMMFAZXFNNPU-UHFFFAOYSA-N
XLogP0.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine
CID 110293346
4-(2-methoxy-5-methylphenyl)sulfonyl-2-(3-methoxyphenyl)-1-methylpiperazine
CID 110293341
(2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293276
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]butan-1-one
CID 110293250
(2S)-4-(4-methoxyphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 94915313
2-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]propan-1-one
CID 110632008
2-(3-methoxyphenyl)-1,3-dimethylimidazolidine
CID 14361742
3-[(2R)-4-ethylsulfonyl-1-methylpiperazin-2-yl]-N-methylbenzamide
CID 125007656
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 110354832
1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110310547
(3R,5S)-1-ethylsulfonyl-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481403
N-methyl-3-[(2R)-1-methyl-4-propan-2-ylsulfonylpiperazin-2-yl]benzamide
CID 124984397

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide (CID 110632012) is 3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide is CNS(=O)(=O)N1CCN(C)C(c2cccc(OC)c2)C1.
What is the InChIKey of 3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide?
The InChIKey is MUGMMFAZXFNNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-14-20(17,18)16-8-7-15(2)13(10-16)11-5-4-6-12(9-11)19-3/h4-6,9,13-14H,7-8,10H2,1-3H3.
What are the key properties of 3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide?
3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N,4-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 110632012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).