[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone

C15H24N2O5S — CID 86966440

IUPAC[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(S(C)(=O)=O)o2)CCN1CCOC
InChIInChI=1S/C15H24N2O5S/c1-4-12-11-17(8-7-16(12)9-10-21-2)15(18)13-5-6-14(22-13)23(3,19)20/h5-6,12H,4,7-11H2,1-3H3
InChIKeyGIVJETGYVWYWSY-UHFFFAOYSA-N
MW344.43 g/mol
LogP0.87
Rot. Bonds6

About [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone

[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone (PubChem CID 86966440) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone.

Molecular Properties

Compound Name[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
PubChem CID86966440
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(S(C)(=O)=O)o2)CCN1CCOC
InChIInChI=1S/C15H24N2O5S/c1-4-12-11-17(8-7-16(12)9-10-21-2)15(18)13-5-6-14(22-13)23(3,19)20/h5-6,12H,4,7-11H2,1-3H3
InChIKeyGIVJETGYVWYWSY-UHFFFAOYSA-N
XLogP0.87
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone?
The IUPAC name of [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone (CID 86966440) is [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone.
What is the SMILES notation for [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone?
The canonical SMILES for [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone is CCC1CN(C(=O)c2ccc(S(C)(=O)=O)o2)CCN1CCOC.
What is the InChIKey of [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone?
The InChIKey is GIVJETGYVWYWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-4-12-11-17(8-7-16(12)9-10-21-2)15(18)13-5-6-14(22-13)23(3,19)20/h5-6,12H,4,7-11H2,1-3H3.
What are the key properties of [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone?
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone has a molecular weight of 344.43 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone is sourced from PubChem (CID 86966440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).