1-[4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol

C12H20N2O4S — CID 102563830

IUPAC1-[4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(S(=O)(=O)c2ccco2)C(C)C1
InChIInChI=1S/C12H20N2O4S/c1-10-8-13(9-11(2)15)5-6-14(10)19(16,17)12-4-3-7-18-12/h3-4,7,10-11,15H,5-6,8-9H2,1-2H3
InChIKeyLAQLPLMQVXULII-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.36
Rot. Bonds4

About 1-[4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol

1-[4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol (PubChem CID 102563830) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol
PubChem CID102563830
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name1-[4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(S(=O)(=O)c2ccco2)C(C)C1
InChIInChI=1S/C12H20N2O4S/c1-10-8-13(9-11(2)15)5-6-14(10)19(16,17)12-4-3-7-18-12/h3-4,7,10-11,15H,5-6,8-9H2,1-2H3
InChIKeyLAQLPLMQVXULII-UHFFFAOYSA-N
XLogP0.36
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.36
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-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol (CID 102563830) is 1-[4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol is CC(O)CN1CCN(S(=O)(=O)c2ccco2)C(C)C1.
What is the InChIKey of 1-[4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol?
The InChIKey is LAQLPLMQVXULII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-10-8-13(9-11(2)15)5-6-14(10)19(16,17)12-4-3-7-18-12/h3-4,7,10-11,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol?
1-[4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol has a molecular weight of 288.37 g/mol, XLogP of 0.36, 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-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 102563830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).