ethyl 4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxylate

C14H20N2O5S — CID 753490

IUPACethyl 4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C14H20N2O5S/c1-3-21-14(17)15-8-10-16(11-9-15)22(18,19)13-6-4-12(20-2)5-7-13/h4-7H,3,8-11H2,1-2H3
InChIKeyUPNXEFGWIXGZAT-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.16
Rot. Bonds4

About ethyl 4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxylate

ethyl 4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxylate (PubChem CID 753490) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is ethyl 4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
PubChem CID753490
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Nameethyl 4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C14H20N2O5S/c1-3-21-14(17)15-8-10-16(11-9-15)22(18,19)13-6-4-12(20-2)5-7-13/h4-7H,3,8-11H2,1-2H3
InChIKeyUPNXEFGWIXGZAT-UHFFFAOYSA-N
XLogP1.16
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-((4-Methoxyphenyl)sulfonyl)piperazine
CID 797560
1-[(4-Methoxyphenyl)sulfonyl]-4-methylpiperazine
CID 676048
Dasa-23
CID 25243725
1-[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-3-methylbutan-1-one
CID 717180
1-Ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-(4-Methoxy-benzenesulfonyl)-2-methyl-piperidine
CID 2843045
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide
CID 715058
2-Chloro-1-(4-(4-methoxybenzenesulfonyl)piperazin-1-yl)ethan-1-one
CID 2051940
N-(2-Azepan-1-yl-2-oxo-ethyl)-4-methoxy-N-methyl-benzenesulfonamide
CID 893362
4-ethoxy-N-ethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 6471321
2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 6493525
3-[(4-methoxyphenyl)sulfonyl]-N,N,2-trimethylimidazolidine-1-carboxamide
CID 6498838

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxylate (CID 753490) is ethyl 4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of ethyl 4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxylate?
The InChIKey is UPNXEFGWIXGZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-3-21-14(17)15-8-10-16(11-9-15)22(18,19)13-6-4-12(20-2)5-7-13/h4-7H,3,8-11H2,1-2H3.
What are the key properties of ethyl 4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxylate?
ethyl 4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxylate has a molecular weight of 328.39 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 753490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).