ethyl 4-methylsulfonylpiperazine-1-carboxylate

C8H16N2O4S — CID 773522

IUPACethyl 4-methylsulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H16N2O4S/c1-3-14-8(11)9-4-6-10(7-5-9)15(2,12)13/h3-7H2,1-2H3
InChIKeyQSDFYHFWELYRMZ-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.28
Rot. Bonds2

About ethyl 4-methylsulfonylpiperazine-1-carboxylate

ethyl 4-methylsulfonylpiperazine-1-carboxylate (PubChem CID 773522) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is ethyl 4-methylsulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-methylsulfonylpiperazine-1-carboxylate
PubChem CID773522
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Nameethyl 4-methylsulfonylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H16N2O4S/c1-3-14-8(11)9-4-6-10(7-5-9)15(2,12)13/h3-7H2,1-2H3
InChIKeyQSDFYHFWELYRMZ-UHFFFAOYSA-N
XLogP-0.28
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(dimethylsulfamoyl)piperazine-1-carboxylate
CID 665530
1-Piperazinecarboxylic acid, 4-(3-sulfopropyl)-, ethyl ester
CID 211442
Tert-butyl 4-(methylsulfonyl)piperazine-1-carboxylate
CID 4496004
Ethyl 4-(chlorosulfonyl)piperazine-1-carboxylate
CID 45791783
Tert-butyl 4-(2-(methylsulfonyloxy)ethyl)piperazine-1-carboxylate
CID 22989493
Ethyl 4-(ethanesulfonyl)piperazine-1-carboxylate
CID 52448686
2,2,2-Trifluoroethyl 4-methylsulfonylpiperazine-1-carboxylate
CID 61897592
2,2,2-Trifluoroethyl 4-propylsulfonylpiperazine-1-carboxylate
CID 65173776
Ethyl 4-(cyclopropylsulfonyl)piperazine-1-carboxylate
CID 45497289
1-Ethoxycarbonyl-4-(3-mesyloxypropyl)piperazine
CID 14772795
tert-Butyl 4-(3-((methylsulfonyl)oxy)propyl)piperazine-1-carboxylate
CID 15540662
Tert-butyl 4-(methylsulfonyloxymethyl)piperazine-1-carboxylate
CID 18770393

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methylsulfonylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-methylsulfonylpiperazine-1-carboxylate (CID 773522) is ethyl 4-methylsulfonylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-methylsulfonylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-methylsulfonylpiperazine-1-carboxylate is CCOC(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of ethyl 4-methylsulfonylpiperazine-1-carboxylate?
The InChIKey is QSDFYHFWELYRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-3-14-8(11)9-4-6-10(7-5-9)15(2,12)13/h3-7H2,1-2H3.
What are the key properties of ethyl 4-methylsulfonylpiperazine-1-carboxylate?
ethyl 4-methylsulfonylpiperazine-1-carboxylate has a molecular weight of 236.29 g/mol, XLogP of -0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methylsulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 773522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).