1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone

C15H23N3O2S — CID 66421450

IUPAC1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C15H23N3O2S/c19-15(10-13-12-21-9-3-16-13)18-6-4-17(5-7-18)11-14-2-1-8-20-14/h1-2,8,13,16H,3-7,9-12H2
InChIKeyXYQBBSHNANSJEW-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.02
Rot. Bonds4

About 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone

1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone (PubChem CID 66421450) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
PubChem CID66421450
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C15H23N3O2S/c19-15(10-13-12-21-9-3-16-13)18-6-4-17(5-7-18)11-14-2-1-8-20-14/h1-2,8,13,16H,3-7,9-12H2
InChIKeyXYQBBSHNANSJEW-UHFFFAOYSA-N
XLogP1.02
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone (CID 66421450) is 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone is O=C(CC1CSCCN1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone?
The InChIKey is XYQBBSHNANSJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c19-15(10-13-12-21-9-3-16-13)18-6-4-17(5-7-18)11-14-2-1-8-20-14/h1-2,8,13,16H,3-7,9-12H2.
What are the key properties of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone?
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone has a molecular weight of 309.44 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 66421450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).