(2R)-1-(2-methoxyethylsulfonyl)-2-methyl-4-propan-2-ylpiperazine

C11H24N2O3S — CID 134380005

IUPAC(2R)-1-(2-methoxyethylsulfonyl)-2-methyl-4-propan-2-ylpiperazine
SMILESCOCCS(=O)(=O)N1CCN(C(C)C)C[C@H]1C
InChIInChI=1S/C11H24N2O3S/c1-10(2)12-5-6-13(11(3)9-12)17(14,15)8-7-16-4/h10-11H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyIMCBARNGXXZJGX-LLVKDONJSA-N
MW264.39 g/mol
LogP0.38
Rot. Bonds5

About (2R)-1-(2-methoxyethylsulfonyl)-2-methyl-4-propan-2-ylpiperazine

(2R)-1-(2-methoxyethylsulfonyl)-2-methyl-4-propan-2-ylpiperazine (PubChem CID 134380005) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is (2R)-1-(2-methoxyethylsulfonyl)-2-methyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2R)-1-(2-methoxyethylsulfonyl)-2-methyl-4-propan-2-ylpiperazine
PubChem CID134380005
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name(2R)-1-(2-methoxyethylsulfonyl)-2-methyl-4-propan-2-ylpiperazine
SMILESCOCCS(=O)(=O)N1CCN(C(C)C)C[C@H]1C
InChIInChI=1S/C11H24N2O3S/c1-10(2)12-5-6-13(11(3)9-12)17(14,15)8-7-16-4/h10-11H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyIMCBARNGXXZJGX-LLVKDONJSA-N
XLogP0.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.38
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-methyl-4-propan-2-ylpiperazine?
The IUPAC name of (2R)-1-(2-methoxyethylsulfonyl)-2-methyl-4-propan-2-ylpiperazine (CID 134380005) is (2R)-1-(2-methoxyethylsulfonyl)-2-methyl-4-propan-2-ylpiperazine.
What is the SMILES notation for (2R)-1-(2-methoxyethylsulfonyl)-2-methyl-4-propan-2-ylpiperazine?
The canonical SMILES for (2R)-1-(2-methoxyethylsulfonyl)-2-methyl-4-propan-2-ylpiperazine is COCCS(=O)(=O)N1CCN(C(C)C)C[C@H]1C.
What is the InChIKey of (2R)-1-(2-methoxyethylsulfonyl)-2-methyl-4-propan-2-ylpiperazine?
The InChIKey is IMCBARNGXXZJGX-LLVKDONJSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-10(2)12-5-6-13(11(3)9-12)17(14,15)8-7-16-4/h10-11H,5-9H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-1-(2-methoxyethylsulfonyl)-2-methyl-4-propan-2-ylpiperazine?
(2R)-1-(2-methoxyethylsulfonyl)-2-methyl-4-propan-2-ylpiperazine has a molecular weight of 264.39 g/mol, XLogP of 0.38, 5 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-methyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 134380005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).