methyl (2R)-1-(2-methoxyacetyl)-4-methylsulfonylpiperazine-2-carboxylate

C10H18N2O6S — CID 11887332

IUPACmethyl (2R)-1-(2-methoxyacetyl)-4-methylsulfonylpiperazine-2-carboxylate
SMILESCOCC(=O)N1CCN(S(C)(=O)=O)C[C@@H]1C(=O)OC
InChIInChI=1S/C10H18N2O6S/c1-17-7-9(13)12-5-4-11(19(3,15)16)6-8(12)10(14)18-2/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyGJYYTIXDKXDUER-MRVPVSSYSA-N
MW294.33 g/mol
LogP-1.72
Rot. Bonds4

About methyl (2R)-1-(2-methoxyacetyl)-4-methylsulfonylpiperazine-2-carboxylate

methyl (2R)-1-(2-methoxyacetyl)-4-methylsulfonylpiperazine-2-carboxylate (PubChem CID 11887332) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is methyl (2R)-1-(2-methoxyacetyl)-4-methylsulfonylpiperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(2-methoxyacetyl)-4-methylsulfonylpiperazine-2-carboxylate
PubChem CID11887332
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Namemethyl (2R)-1-(2-methoxyacetyl)-4-methylsulfonylpiperazine-2-carboxylate
SMILESCOCC(=O)N1CCN(S(C)(=O)=O)C[C@@H]1C(=O)OC
InChIInChI=1S/C10H18N2O6S/c1-17-7-9(13)12-5-4-11(19(3,15)16)6-8(12)10(14)18-2/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyGJYYTIXDKXDUER-MRVPVSSYSA-N
XLogP-1.72
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 5-1.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(2-methoxyacetyl)-4-methylsulfonylpiperazine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(2-methoxyacetyl)-4-methylsulfonylpiperazine-2-carboxylate (CID 11887332) is methyl (2R)-1-(2-methoxyacetyl)-4-methylsulfonylpiperazine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(2-methoxyacetyl)-4-methylsulfonylpiperazine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(2-methoxyacetyl)-4-methylsulfonylpiperazine-2-carboxylate is COCC(=O)N1CCN(S(C)(=O)=O)C[C@@H]1C(=O)OC.
What is the InChIKey of methyl (2R)-1-(2-methoxyacetyl)-4-methylsulfonylpiperazine-2-carboxylate?
The InChIKey is GJYYTIXDKXDUER-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-17-7-9(13)12-5-4-11(19(3,15)16)6-8(12)10(14)18-2/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of methyl (2R)-1-(2-methoxyacetyl)-4-methylsulfonylpiperazine-2-carboxylate?
methyl (2R)-1-(2-methoxyacetyl)-4-methylsulfonylpiperazine-2-carboxylate has a molecular weight of 294.33 g/mol, XLogP of -1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(2-methoxyacetyl)-4-methylsulfonylpiperazine-2-carboxylate is sourced from PubChem (CID 11887332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).