ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate

C11H21N3O5S — CID 110285439

IUPACethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNS(=O)(=O)CC)CC1
InChIInChI=1S/C11H21N3O5S/c1-3-19-11(16)14-7-5-13(6-8-14)10(15)9-12-20(17,18)4-2/h12H,3-9H2,1-2H3
InChIKeyMWVZLGNOYOISHK-UHFFFAOYSA-N
MW307.37 g/mol
LogP-0.77
Rot. Bonds5

About ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate (PubChem CID 110285439) has the molecular formula C11H21N3O5S and a molecular weight of 307.37 g/mol. Its IUPAC name is ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate
PubChem CID110285439
Molecular FormulaC11H21N3O5S
Molecular Weight307.37 g/mol
Exact Mass307.12
IUPAC Nameethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNS(=O)(=O)CC)CC1
InChIInChI=1S/C11H21N3O5S/c1-3-19-11(16)14-7-5-13(6-8-14)10(15)9-12-20(17,18)4-2/h12H,3-9H2,1-2H3
InChIKeyMWVZLGNOYOISHK-UHFFFAOYSA-N
XLogP-0.77
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate (CID 110285439) is ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNS(=O)(=O)CC)CC1.
What is the InChIKey of ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate?
The InChIKey is MWVZLGNOYOISHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5S/c1-3-19-11(16)14-7-5-13(6-8-14)10(15)9-12-20(17,18)4-2/h12H,3-9H2,1-2H3.
What are the key properties of ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate has a molecular weight of 307.37 g/mol, XLogP of -0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 110285439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).