3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-ol

C12H20N2O3S2 — CID 47012887

IUPAC3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-ol
SMILESCc1ccc(S(=O)(=O)N2CCN(CCCO)CC2)s1
InChIInChI=1S/C12H20N2O3S2/c1-11-3-4-12(18-11)19(16,17)14-8-6-13(7-9-14)5-2-10-15/h3-4,15H,2,5-10H2,1H3
InChIKeyLUZIUZLLFQYUJG-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.75
Rot. Bonds5

About 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-ol

3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-ol (PubChem CID 47012887) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-ol
PubChem CID47012887
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-ol
SMILESCc1ccc(S(=O)(=O)N2CCN(CCCO)CC2)s1
InChIInChI=1S/C12H20N2O3S2/c1-11-3-4-12(18-11)19(16,17)14-8-6-13(7-9-14)5-2-10-15/h3-4,15H,2,5-10H2,1H3
InChIKeyLUZIUZLLFQYUJG-UHFFFAOYSA-N
XLogP0.75
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-ol (CID 47012887) is 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-ol is Cc1ccc(S(=O)(=O)N2CCN(CCCO)CC2)s1.
What is the InChIKey of 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-ol?
The InChIKey is LUZIUZLLFQYUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-11-3-4-12(18-11)19(16,17)14-8-6-13(7-9-14)5-2-10-15/h3-4,15H,2,5-10H2,1H3.
What are the key properties of 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-ol?
3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-ol has a molecular weight of 304.44 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propan-1-ol is sourced from PubChem (CID 47012887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).