(2R)-1-(2-methoxyethylsulfonyl)-2-methylpiperazine

C8H18N2O3S — CID 82755288

IUPAC(2R)-1-(2-methoxyethylsulfonyl)-2-methylpiperazine
SMILESCOCCS(=O)(=O)N1CCNC[C@H]1C
InChIInChI=1S/C8H18N2O3S/c1-8-7-9-3-4-10(8)14(11,12)6-5-13-2/h8-9H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyXLUJCCNQWRKOMJ-MRVPVSSYSA-N
MW222.31 g/mol
LogP-0.74
Rot. Bonds4

About (2R)-1-(2-methoxyethylsulfonyl)-2-methylpiperazine

(2R)-1-(2-methoxyethylsulfonyl)-2-methylpiperazine (PubChem CID 82755288) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is (2R)-1-(2-methoxyethylsulfonyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-(2-methoxyethylsulfonyl)-2-methylpiperazine
PubChem CID82755288
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name(2R)-1-(2-methoxyethylsulfonyl)-2-methylpiperazine
SMILESCOCCS(=O)(=O)N1CCNC[C@H]1C
InChIInChI=1S/C8H18N2O3S/c1-8-7-9-3-4-10(8)14(11,12)6-5-13-2/h8-9H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyXLUJCCNQWRKOMJ-MRVPVSSYSA-N
XLogP-0.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methoxyethylsulfonyl)-2-methylpiperazine?
The IUPAC name of (2R)-1-(2-methoxyethylsulfonyl)-2-methylpiperazine (CID 82755288) is (2R)-1-(2-methoxyethylsulfonyl)-2-methylpiperazine.
What is the SMILES notation for (2R)-1-(2-methoxyethylsulfonyl)-2-methylpiperazine?
The canonical SMILES for (2R)-1-(2-methoxyethylsulfonyl)-2-methylpiperazine is COCCS(=O)(=O)N1CCNC[C@H]1C.
What is the InChIKey of (2R)-1-(2-methoxyethylsulfonyl)-2-methylpiperazine?
The InChIKey is XLUJCCNQWRKOMJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-8-7-9-3-4-10(8)14(11,12)6-5-13-2/h8-9H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-(2-methoxyethylsulfonyl)-2-methylpiperazine?
(2R)-1-(2-methoxyethylsulfonyl)-2-methylpiperazine has a molecular weight of 222.31 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methoxyethylsulfonyl)-2-methylpiperazine is sourced from PubChem (CID 82755288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).