1-cyclopropyl-2-(4-ethylsulfonylpiperazin-1-yl)ethanol

C11H22N2O3S — CID 71783494

IUPAC1-cyclopropyl-2-(4-ethylsulfonylpiperazin-1-yl)ethanol
SMILESCCS(=O)(=O)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C11H22N2O3S/c1-2-17(15,16)13-7-5-12(6-8-13)9-11(14)10-3-4-10/h10-11,14H,2-9H2,1H3
InChIKeyMVIQASKZBLULPF-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.28
Rot. Bonds5

About 1-cyclopropyl-2-(4-ethylsulfonylpiperazin-1-yl)ethanol

1-cyclopropyl-2-(4-ethylsulfonylpiperazin-1-yl)ethanol (PubChem CID 71783494) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-ethylsulfonylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-ethylsulfonylpiperazin-1-yl)ethanol
PubChem CID71783494
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-cyclopropyl-2-(4-ethylsulfonylpiperazin-1-yl)ethanol
SMILESCCS(=O)(=O)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C11H22N2O3S/c1-2-17(15,16)13-7-5-12(6-8-13)9-11(14)10-3-4-10/h10-11,14H,2-9H2,1H3
InChIKeyMVIQASKZBLULPF-UHFFFAOYSA-N
XLogP-0.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-ethylsulfonylpiperazin-1-yl)ethanol?
The IUPAC name of 1-cyclopropyl-2-(4-ethylsulfonylpiperazin-1-yl)ethanol (CID 71783494) is 1-cyclopropyl-2-(4-ethylsulfonylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(4-ethylsulfonylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(4-ethylsulfonylpiperazin-1-yl)ethanol is CCS(=O)(=O)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-2-(4-ethylsulfonylpiperazin-1-yl)ethanol?
The InChIKey is MVIQASKZBLULPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-2-17(15,16)13-7-5-12(6-8-13)9-11(14)10-3-4-10/h10-11,14H,2-9H2,1H3.
What are the key properties of 1-cyclopropyl-2-(4-ethylsulfonylpiperazin-1-yl)ethanol?
1-cyclopropyl-2-(4-ethylsulfonylpiperazin-1-yl)ethanol has a molecular weight of 262.37 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-ethylsulfonylpiperazin-1-yl)ethanol is sourced from PubChem (CID 71783494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).