1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

C16H24N2O5S — CID 110817224

IUPAC1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(S(=O)(=O)c2cc(OC)c(C)cc2OC)CC1
InChIInChI=1S/C16H24N2O5S/c1-5-16(19)17-6-8-18(9-7-17)24(20,21)15-11-13(22-3)12(2)10-14(15)23-4/h10-11H,5-9H2,1-4H3
InChIKeyYOVTZPXLVKQIHI-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.26
Rot. Bonds5

About 1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 110817224) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID110817224
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(S(=O)(=O)c2cc(OC)c(C)cc2OC)CC1
InChIInChI=1S/C16H24N2O5S/c1-5-16(19)17-6-8-18(9-7-17)24(20,21)15-11-13(22-3)12(2)10-14(15)23-4/h10-11H,5-9H2,1-4H3
InChIKeyYOVTZPXLVKQIHI-UHFFFAOYSA-N
XLogP1.26
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796597
1-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817640
1-[4-(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796584
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6458543
1-[4-(2-methoxy-4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817219
1-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 108569767
ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 35202543
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine
CID 6463939
N-[2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzamide
CID 108567929
1-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-phenoxybutan-1-one
CID 108569120
1-ethyl-4-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperazine
CID 6464192
cyclohexyl-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110347022

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 110817224) is 1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one is CCC(=O)N1CCN(S(=O)(=O)c2cc(OC)c(C)cc2OC)CC1.
What is the InChIKey of 1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is YOVTZPXLVKQIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-5-16(19)17-6-8-18(9-7-17)24(20,21)15-11-13(22-3)12(2)10-14(15)23-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 356.44 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 110817224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).