1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one

C17H27N3O5S — CID 119692279

IUPAC1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C17H27N3O5S/c1-13(12-18-2)17(21)19-7-9-20(10-8-19)26(22,23)16-11-14(24-3)5-6-15(16)25-4/h5-6,11,13,18H,7-10,12H2,1-4H3
InChIKeyYBMZPSTYSZUBEC-UHFFFAOYSA-N
MW385.49 g/mol
LogP0.39
Rot. Bonds7

About 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one

1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one (PubChem CID 119692279) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
PubChem CID119692279
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC Name1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C17H27N3O5S/c1-13(12-18-2)17(21)19-7-9-20(10-8-19)26(22,23)16-11-14(24-3)5-6-15(16)25-4/h5-6,11,13,18H,7-10,12H2,1-4H3
InChIKeyYBMZPSTYSZUBEC-UHFFFAOYSA-N
XLogP0.39
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120983970
4-(2,5-dimethoxyphenyl)sulfonyl-N-octan-2-ylpiperazine-1-carboxamide
CID 55589985
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 41498831
1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone
CID 120705100
(1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119692262
1-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione
CID 55702620
2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8804048
4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide
CID 2758390
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 41499008
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 110328605
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110646198
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119678843

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one?
The IUPAC name of 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one (CID 119692279) is 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one?
The canonical SMILES for 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one is CNCC(C)C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1.
What is the InChIKey of 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one?
The InChIKey is YBMZPSTYSZUBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-13(12-18-2)17(21)19-7-9-20(10-8-19)26(22,23)16-11-14(24-3)5-6-15(16)25-4/h5-6,11,13,18H,7-10,12H2,1-4H3.
What are the key properties of 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one?
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one has a molecular weight of 385.49 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one is sourced from PubChem (CID 119692279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).