(2R)-1-(2-methoxyethylsulfonyl)-2,4-dimethylpiperazine

C9H20N2O3S — CID 122544332

IUPAC(2R)-1-(2-methoxyethylsulfonyl)-2,4-dimethylpiperazine
SMILESCOCCS(=O)(=O)N1CCN(C)C[C@H]1C
InChIInChI=1S/C9H20N2O3S/c1-9-8-10(2)4-5-11(9)15(12,13)7-6-14-3/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyHWYOOHPPGLXOMA-SECBINFHSA-N
MW236.34 g/mol
LogP-0.40
Rot. Bonds4

About (2R)-1-(2-methoxyethylsulfonyl)-2,4-dimethylpiperazine

(2R)-1-(2-methoxyethylsulfonyl)-2,4-dimethylpiperazine (PubChem CID 122544332) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is (2R)-1-(2-methoxyethylsulfonyl)-2,4-dimethylpiperazine.

Molecular Properties

Compound Name(2R)-1-(2-methoxyethylsulfonyl)-2,4-dimethylpiperazine
PubChem CID122544332
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name(2R)-1-(2-methoxyethylsulfonyl)-2,4-dimethylpiperazine
SMILESCOCCS(=O)(=O)N1CCN(C)C[C@H]1C
InChIInChI=1S/C9H20N2O3S/c1-9-8-10(2)4-5-11(9)15(12,13)7-6-14-3/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyHWYOOHPPGLXOMA-SECBINFHSA-N
XLogP-0.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methoxyethylsulfonyl)-2,4-dimethylpiperazine?
The IUPAC name of (2R)-1-(2-methoxyethylsulfonyl)-2,4-dimethylpiperazine (CID 122544332) is (2R)-1-(2-methoxyethylsulfonyl)-2,4-dimethylpiperazine.
What is the SMILES notation for (2R)-1-(2-methoxyethylsulfonyl)-2,4-dimethylpiperazine?
The canonical SMILES for (2R)-1-(2-methoxyethylsulfonyl)-2,4-dimethylpiperazine is COCCS(=O)(=O)N1CCN(C)C[C@H]1C.
What is the InChIKey of (2R)-1-(2-methoxyethylsulfonyl)-2,4-dimethylpiperazine?
The InChIKey is HWYOOHPPGLXOMA-SECBINFHSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-9-8-10(2)4-5-11(9)15(12,13)7-6-14-3/h9H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-1-(2-methoxyethylsulfonyl)-2,4-dimethylpiperazine?
(2R)-1-(2-methoxyethylsulfonyl)-2,4-dimethylpiperazine has a molecular weight of 236.34 g/mol, XLogP of -0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methoxyethylsulfonyl)-2,4-dimethylpiperazine is sourced from PubChem (CID 122544332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).