ethyl 4-(2,5-diethoxyphenyl)sulfonylpiperazine-1-carboxylate

C17H26N2O6S — CID 1260938

IUPACethyl 4-(2,5-diethoxyphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2cc(OCC)ccc2OCC)CC1
InChIInChI=1S/C17H26N2O6S/c1-4-23-14-7-8-15(24-5-2)16(13-14)26(21,22)19-11-9-18(10-12-19)17(20)25-6-3/h7-8,13H,4-6,9-12H2,1-3H3
InChIKeySCHBSNYXCWYCGH-UHFFFAOYSA-N
MW386.47 g/mol
LogP1.95
Rot. Bonds7

About ethyl 4-(2,5-diethoxyphenyl)sulfonylpiperazine-1-carboxylate

ethyl 4-(2,5-diethoxyphenyl)sulfonylpiperazine-1-carboxylate (PubChem CID 1260938) has the molecular formula C17H26N2O6S and a molecular weight of 386.47 g/mol. Its IUPAC name is ethyl 4-(2,5-diethoxyphenyl)sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,5-diethoxyphenyl)sulfonylpiperazine-1-carboxylate
PubChem CID1260938
Molecular FormulaC17H26N2O6S
Molecular Weight386.47 g/mol
Exact Mass386.15
IUPAC Nameethyl 4-(2,5-diethoxyphenyl)sulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)c2cc(OCC)ccc2OCC)CC1
InChIInChI=1S/C17H26N2O6S/c1-4-23-14-7-8-15(24-5-2)16(13-14)26(21,22)19-11-9-18(10-12-19)17(20)25-6-3/h7-8,13H,4-6,9-12H2,1-3H3
InChIKeySCHBSNYXCWYCGH-UHFFFAOYSA-N
XLogP1.95
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-Dimethoxybenzenesulfonyl)piperazine
CID 2758389
4-(4-Methoxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester
CID 753490
4-(2,5-Diethoxyphenyl)sulfonylmorpholine
CID 778396
1-(2,5-Dimethoxyphenyl)sulfonyl-4-ethylpiperazine
CID 971615
Ethyl 4-{[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonyl}-1-piperazinecarboxylate
CID 1082993
Ethyl 4-({1-[(2,5-dimethoxyphenyl)sulfonyl]-4-piperidinyl}carbonyl)-1-piperazinecarboxylate
CID 2963991
1-[4-(2,5-Dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol
CID 16319787
1-(2,5-Diethoxyphenyl)sulfonylpiperidine
CID 647069
1-[(2,5-Diethoxyphenyl)sulfonyl]-2-methylpiperidine
CID 652255
4-(3,4-Dimethoxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester
CID 1129614
4-(4-Ethoxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester
CID 975409
1-[(2,5-Dimethoxyphenyl)sulfonyl]-4-methylpiperazine
CID 794496

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,5-diethoxyphenyl)sulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2,5-diethoxyphenyl)sulfonylpiperazine-1-carboxylate (CID 1260938) is ethyl 4-(2,5-diethoxyphenyl)sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,5-diethoxyphenyl)sulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,5-diethoxyphenyl)sulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)c2cc(OCC)ccc2OCC)CC1.
What is the InChIKey of ethyl 4-(2,5-diethoxyphenyl)sulfonylpiperazine-1-carboxylate?
The InChIKey is SCHBSNYXCWYCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6S/c1-4-23-14-7-8-15(24-5-2)16(13-14)26(21,22)19-11-9-18(10-12-19)17(20)25-6-3/h7-8,13H,4-6,9-12H2,1-3H3.
What are the key properties of ethyl 4-(2,5-diethoxyphenyl)sulfonylpiperazine-1-carboxylate?
ethyl 4-(2,5-diethoxyphenyl)sulfonylpiperazine-1-carboxylate has a molecular weight of 386.47 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,5-diethoxyphenyl)sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 1260938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).