2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropan-1-ol

C9H20N2O3S — CID 82129586

IUPAC2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropan-1-ol
SMILESCC(CO)CS(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C9H20N2O3S/c1-9(7-12)8-15(13,14)11-5-3-10(2)4-6-11/h9,12H,3-8H2,1-2H3
InChIKeyIHUPGYDWTKOFEV-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.81
Rot. Bonds4

About 2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropan-1-ol

2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropan-1-ol (PubChem CID 82129586) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropan-1-ol
PubChem CID82129586
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropan-1-ol
SMILESCC(CO)CS(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C9H20N2O3S/c1-9(7-12)8-15(13,14)11-5-3-10(2)4-6-11/h9,12H,3-8H2,1-2H3
InChIKeyIHUPGYDWTKOFEV-UHFFFAOYSA-N
XLogP-0.81
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 ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropan-1-ol?
The IUPAC name of 2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropan-1-ol (CID 82129586) is 2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropan-1-ol?
The canonical SMILES for 2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropan-1-ol is CC(CO)CS(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of 2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropan-1-ol?
The InChIKey is IHUPGYDWTKOFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-9(7-12)8-15(13,14)11-5-3-10(2)4-6-11/h9,12H,3-8H2,1-2H3.
What are the key properties of 2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropan-1-ol?
2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropan-1-ol has a molecular weight of 236.34 g/mol, XLogP of -0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropan-1-ol is sourced from PubChem (CID 82129586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).