1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine

C13H20N2O3S — CID 98035714

IUPAC1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine
SMILESCOc1cccc(S(=O)(=O)CCN2CCNCC2)c1
InChIInChI=1S/C13H20N2O3S/c1-18-12-3-2-4-13(11-12)19(16,17)10-9-15-7-5-14-6-8-15/h2-4,11,14H,5-10H2,1H3
InChIKeyJMLJFVLKUJIAEP-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.37
Rot. Bonds5

About 1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine

1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine (PubChem CID 98035714) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine
PubChem CID98035714
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine
SMILESCOc1cccc(S(=O)(=O)CCN2CCNCC2)c1
InChIInChI=1S/C13H20N2O3S/c1-18-12-3-2-4-13(11-12)19(16,17)10-9-15-7-5-14-6-8-15/h2-4,11,14H,5-10H2,1H3
InChIKeyJMLJFVLKUJIAEP-UHFFFAOYSA-N
XLogP0.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.37
H-Bond Donors ≤ 51
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-Ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
N-[2-(Diethylamino)ethyl]-3-Methoxy-Benzenesulfonamide
CID 71677774
1-[(3,4-Dimethoxyphenyl)sulfonyl]piperazine
CID 2769442
2-[(4-Methoxyphenyl)sulfonyl]ethanamine
CID 16644604
Ethylamine, 2-(o-anisylthio)-N,N-diethyl-, hydrochloride
CID 45443
Ethylamine, 2-(4-methoxyphenylsulfonyl)-N-methyl-, hydrochloride
CID 49337
2-(4-Methoxybenzene-1-sulfonyl)-N,N-dimethylethan-1-amine--hydrogen chloride (1/1)
CID 49341
Butylamine, N-(2-(4-methoxyphenylsulfonyl)ethyl)-, hydrochloride
CID 3050835
Piperidine, 1-(2-(4-methoxyphenylsulfonyl)ethyl)-, hydrochloride
CID 3050839

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine?
The IUPAC name of 1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine (CID 98035714) is 1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine?
The canonical SMILES for 1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine is COc1cccc(S(=O)(=O)CCN2CCNCC2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine?
The InChIKey is JMLJFVLKUJIAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-18-12-3-2-4-13(11-12)19(16,17)10-9-15-7-5-14-6-8-15/h2-4,11,14H,5-10H2,1H3.
What are the key properties of 1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine?
1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine has a molecular weight of 284.38 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)sulfonylethyl]piperazine is sourced from PubChem (CID 98035714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).