2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanol

C9H20N2O3S — CID 60864573

IUPAC2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanol
SMILESCC(C)S(=O)(=O)N1CCN(CCO)CC1
InChIInChI=1S/C9H20N2O3S/c1-9(2)15(13,14)11-5-3-10(4-6-11)7-8-12/h9,12H,3-8H2,1-2H3
InChIKeyKYTJEGFGRJMWTH-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.67
Rot. Bonds4

About 2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanol

2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanol (PubChem CID 60864573) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanol
PubChem CID60864573
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanol
SMILESCC(C)S(=O)(=O)N1CCN(CCO)CC1
InChIInChI=1S/C9H20N2O3S/c1-9(2)15(13,14)11-5-3-10(4-6-11)7-8-12/h9,12H,3-8H2,1-2H3
InChIKeyKYTJEGFGRJMWTH-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-propan-2-ylsulfonylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanol (CID 60864573) is 2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanol is CC(C)S(=O)(=O)N1CCN(CCO)CC1.
What is the InChIKey of 2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanol?
The InChIKey is KYTJEGFGRJMWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-9(2)15(13,14)11-5-3-10(4-6-11)7-8-12/h9,12H,3-8H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanol?
2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethanol 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-propan-2-ylsulfonylpiperazin-1-yl)ethanol is sourced from PubChem (CID 60864573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).