1-(2,5-dimethoxyphenyl)sulfonyl-4-methylpiperazine

C13H20N2O4S — CID 794496

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C13H20N2O4S/c1-14-6-8-15(9-7-14)20(16,17)13-10-11(18-2)4-5-12(13)19-3/h4-5,10H,6-9H2,1-3H3
InChIKeyKAMZZNMARKDDED-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.64
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)sulfonyl-4-methylpiperazine

1-(2,5-dimethoxyphenyl)sulfonyl-4-methylpiperazine (PubChem CID 794496) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-4-methylpiperazine
PubChem CID794496
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-4-methylpiperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C13H20N2O4S/c1-14-6-8-15(9-7-14)20(16,17)13-10-11(18-2)4-5-12(13)19-3/h4-5,10H,6-9H2,1-3H3
InChIKeyKAMZZNMARKDDED-UHFFFAOYSA-N
XLogP0.64
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-((4-Methoxyphenyl)sulfonyl)piperazine
CID 797560
1-(2,5-Dimethoxybenzenesulfonyl)piperazine
CID 2758389
1-[(4-Methoxyphenyl)sulfonyl]-4-methylpiperazine
CID 676048
1,4-Bis[(4-methoxyphenyl)sulfonyl]piperazine
CID 1104493
1-Ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
N-ethyl-2,5-dimethoxybenzenesulfonamide
CID 729552
Benzenesulfonamide, 2,5-dimethoxy-
CID 209044
2,5-dimethoxy-N-methylbenzene-1-sulfonamide
CID 768903
2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2931143
2-[(2,5-Dimethoxyphenyl)sulfonyl]octahydropyrrolo[1,2-a]pyrazine
CID 6466395
5-Fluoro-2-methoxy-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 6487446
Ethyl 4-[(2,5-diethoxyphenyl)sulfonyl]piperazine-1-carboxylate
CID 1260938

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-methylpiperazine (CID 794496) is 1-(2,5-dimethoxyphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-4-methylpiperazine is COc1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is KAMZZNMARKDDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-14-6-8-15(9-7-14)20(16,17)13-10-11(18-2)4-5-12(13)19-3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-4-methylpiperazine?
1-(2,5-dimethoxyphenyl)sulfonyl-4-methylpiperazine has a molecular weight of 300.38 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 794496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).