1-[(5-ethylfuran-2-yl)methyl]-4-ethylsulfonylpiperazine

C13H22N2O3S — CID 75438528

IUPAC1-[(5-ethylfuran-2-yl)methyl]-4-ethylsulfonylpiperazine
SMILESCCc1ccc(CN2CCN(S(=O)(=O)CC)CC2)o1
InChIInChI=1S/C13H22N2O3S/c1-3-12-5-6-13(18-12)11-14-7-9-15(10-8-14)19(16,17)4-2/h5-6H,3-4,7-11H2,1-2H3
InChIKeySXMJIMSZYHCFDI-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.31
Rot. Bonds5

About 1-[(5-ethylfuran-2-yl)methyl]-4-ethylsulfonylpiperazine

1-[(5-ethylfuran-2-yl)methyl]-4-ethylsulfonylpiperazine (PubChem CID 75438528) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[(5-ethylfuran-2-yl)methyl]-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(5-ethylfuran-2-yl)methyl]-4-ethylsulfonylpiperazine
PubChem CID75438528
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name1-[(5-ethylfuran-2-yl)methyl]-4-ethylsulfonylpiperazine
SMILESCCc1ccc(CN2CCN(S(=O)(=O)CC)CC2)o1
InChIInChI=1S/C13H22N2O3S/c1-3-12-5-6-13(18-12)11-14-7-9-15(10-8-14)19(16,17)4-2/h5-6H,3-4,7-11H2,1-2H3
InChIKeySXMJIMSZYHCFDI-UHFFFAOYSA-N
XLogP1.31
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine
CID 770584
1-[(5-ethylfuran-2-yl)methyl]piperazine
CID 62346737
1-[(5-ethylfuran-2-yl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 65064757
N-ethyl-1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-3-sulfonamide
CID 75500088
1-[(5-ethylfuran-2-yl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane
CID 3343047
1-[(4-chlorophenyl)methyl]-4-ethylsulfonylpiperazine;oxalic acid
CID 2901979
1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 770603
5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392
1-ethylsulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazine
CID 719602
N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 62344557
(9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 99930669
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 42879831

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylfuran-2-yl)methyl]-4-ethylsulfonylpiperazine?
The IUPAC name of 1-[(5-ethylfuran-2-yl)methyl]-4-ethylsulfonylpiperazine (CID 75438528) is 1-[(5-ethylfuran-2-yl)methyl]-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-[(5-ethylfuran-2-yl)methyl]-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-[(5-ethylfuran-2-yl)methyl]-4-ethylsulfonylpiperazine is CCc1ccc(CN2CCN(S(=O)(=O)CC)CC2)o1.
What is the InChIKey of 1-[(5-ethylfuran-2-yl)methyl]-4-ethylsulfonylpiperazine?
The InChIKey is SXMJIMSZYHCFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-3-12-5-6-13(18-12)11-14-7-9-15(10-8-14)19(16,17)4-2/h5-6H,3-4,7-11H2,1-2H3.
What are the key properties of 1-[(5-ethylfuran-2-yl)methyl]-4-ethylsulfonylpiperazine?
1-[(5-ethylfuran-2-yl)methyl]-4-ethylsulfonylpiperazine has a molecular weight of 286.40 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylfuran-2-yl)methyl]-4-ethylsulfonylpiperazine is sourced from PubChem (CID 75438528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).