ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate

C16H24N2O5S — CID 6460333

IUPACethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2cc(CC)ccc2OC)CC1
InChIInChI=1S/C16H24N2O5S/c1-4-13-6-7-14(22-3)15(12-13)24(20,21)18-10-8-17(9-11-18)16(19)23-5-2/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyBYJGOBOFDPHMSV-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.72
Rot. Bonds5

About ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate

ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate (PubChem CID 6460333) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate
PubChem CID6460333
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Nameethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2cc(CC)ccc2OC)CC1
InChIInChI=1S/C16H24N2O5S/c1-4-13-6-7-14(22-3)15(12-13)24(20,21)18-10-8-17(9-11-18)16(19)23-5-2/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyBYJGOBOFDPHMSV-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110818000
1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 6457843
ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 35202543
ethyl 4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 91669968
ethyl 4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 1085675
ethyl 4-[2-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)oxyacetyl]piperazine-1-carboxylate
CID 40855315
ethyl 4-[2-[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]oxyacetyl]piperazine-1-carboxylate
CID 16509201
ethyl 4-(4-methoxy-3-propan-2-ylphenyl)sulfonylpiperazine-1-carboxylate
CID 6472834
1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine
CID 91669996
1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 34117918
ethyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 8777810
ethyl 4-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818639

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate (CID 6460333) is ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2cc(CC)ccc2OC)CC1.
What is the InChIKey of ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate?
The InChIKey is BYJGOBOFDPHMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-4-13-6-7-14(22-3)15(12-13)24(20,21)18-10-8-17(9-11-18)16(19)23-5-2/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate?
ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate has a molecular weight of 356.44 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 6460333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).