2-(4-methylsulfonylpiperazin-1-yl)butan-1-ol

C9H20N2O3S — CID 111466276

IUPAC2-(4-methylsulfonylpiperazin-1-yl)butan-1-ol
SMILESCCC(CO)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2O3S/c1-3-9(8-12)10-4-6-11(7-5-10)15(2,13)14/h9,12H,3-8H2,1-2H3
InChIKeyADFNWKNMWNPHJL-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.67
Rot. Bonds4

About 2-(4-methylsulfonylpiperazin-1-yl)butan-1-ol

2-(4-methylsulfonylpiperazin-1-yl)butan-1-ol (PubChem CID 111466276) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperazin-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperazin-1-yl)butan-1-ol
PubChem CID111466276
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name2-(4-methylsulfonylpiperazin-1-yl)butan-1-ol
SMILESCCC(CO)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2O3S/c1-3-9(8-12)10-4-6-11(7-5-10)15(2,13)14/h9,12H,3-8H2,1-2H3
InChIKeyADFNWKNMWNPHJL-UHFFFAOYSA-N
XLogP-0.67
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)butan-1-ol?
The IUPAC name of 2-(4-methylsulfonylpiperazin-1-yl)butan-1-ol (CID 111466276) is 2-(4-methylsulfonylpiperazin-1-yl)butan-1-ol.
What is the SMILES notation for 2-(4-methylsulfonylpiperazin-1-yl)butan-1-ol?
The canonical SMILES for 2-(4-methylsulfonylpiperazin-1-yl)butan-1-ol is CCC(CO)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperazin-1-yl)butan-1-ol?
The InChIKey is ADFNWKNMWNPHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-3-9(8-12)10-4-6-11(7-5-10)15(2,13)14/h9,12H,3-8H2,1-2H3.
What are the key properties of 2-(4-methylsulfonylpiperazin-1-yl)butan-1-ol?
2-(4-methylsulfonylpiperazin-1-yl)butan-1-ol has a molecular weight of 236.34 g/mol, XLogP of -0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperazin-1-yl)butan-1-ol is sourced from PubChem (CID 111466276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).