1-(2-methylfuran-3-yl)sulfanyl-3-piperazin-1-ylpropan-2-ol

C12H20N2O2S — CID 107781612

IUPAC1-(2-methylfuran-3-yl)sulfanyl-3-piperazin-1-ylpropan-2-ol
SMILESCc1occc1SCC(O)CN1CCNCC1
InChIInChI=1S/C12H20N2O2S/c1-10-12(2-7-16-10)17-9-11(15)8-14-5-3-13-4-6-14/h2,7,11,13,15H,3-6,8-9H2,1H3
InChIKeyAEWDLUIQYXRRMB-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.95
Rot. Bonds5

About 1-(2-methylfuran-3-yl)sulfanyl-3-piperazin-1-ylpropan-2-ol

1-(2-methylfuran-3-yl)sulfanyl-3-piperazin-1-ylpropan-2-ol (PubChem CID 107781612) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-(2-methylfuran-3-yl)sulfanyl-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-methylfuran-3-yl)sulfanyl-3-piperazin-1-ylpropan-2-ol
PubChem CID107781612
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-(2-methylfuran-3-yl)sulfanyl-3-piperazin-1-ylpropan-2-ol
SMILESCc1occc1SCC(O)CN1CCNCC1
InChIInChI=1S/C12H20N2O2S/c1-10-12(2-7-16-10)17-9-11(15)8-14-5-3-13-4-6-14/h2,7,11,13,15H,3-6,8-9H2,1H3
InChIKeyAEWDLUIQYXRRMB-UHFFFAOYSA-N
XLogP0.95
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylfuran-3-yl)sulfanyl-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(2-methylfuran-3-yl)sulfanyl-3-piperazin-1-ylpropan-2-ol (CID 107781612) is 1-(2-methylfuran-3-yl)sulfanyl-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2-methylfuran-3-yl)sulfanyl-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(2-methylfuran-3-yl)sulfanyl-3-piperazin-1-ylpropan-2-ol is Cc1occc1SCC(O)CN1CCNCC1.
What is the InChIKey of 1-(2-methylfuran-3-yl)sulfanyl-3-piperazin-1-ylpropan-2-ol?
The InChIKey is AEWDLUIQYXRRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-10-12(2-7-16-10)17-9-11(15)8-14-5-3-13-4-6-14/h2,7,11,13,15H,3-6,8-9H2,1H3.
What are the key properties of 1-(2-methylfuran-3-yl)sulfanyl-3-piperazin-1-ylpropan-2-ol?
1-(2-methylfuran-3-yl)sulfanyl-3-piperazin-1-ylpropan-2-ol has a molecular weight of 256.37 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylfuran-3-yl)sulfanyl-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 107781612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).