ethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate

C15H20N2O5S — CID 1479019

IUPACethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H20N2O5S/c1-3-22-14(18)10-13-15(19)16-8-9-17(13)23(20,21)12-6-4-11(2)5-7-12/h4-7,13H,3,8-10H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyABTLAACYLHXSCX-CYBMUJFWSA-N
MW340.40 g/mol
LogP0.44
Rot. Bonds5

About ethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate

ethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate (PubChem CID 1479019) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is ethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
PubChem CID1479019
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Nameethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H20N2O5S/c1-3-22-14(18)10-13-15(19)16-8-9-17(13)23(20,21)12-6-4-11(2)5-7-12/h4-7,13H,3,8-10H2,1-2H3,(H,16,19)/t13-/m1/s1
InChIKeyABTLAACYLHXSCX-CYBMUJFWSA-N
XLogP0.44
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 1479023
ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate
CID 1479034
methyl 2-[1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 17404752
ethyl 2-[4-(4-methylphenyl)sulfonyl-7-oxo-1,4-diazepan-5-yl]acetate
CID 69080390
methyl 2-[(2R)-1-(4-bromophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 25402199
ethyl 2-[(2S)-1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 1478976
3-methylbutyl 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 17079717
ethyl 2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 3767271
ethyl 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 1382900
2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide
CID 143068313
2-[(2R)-1-(3,4-dimethylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
CID 92710403
2-[3-oxo-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetamide
CID 141109534

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate (CID 1479019) is ethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate is CCOC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate?
The InChIKey is ABTLAACYLHXSCX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-3-22-14(18)10-13-15(19)16-8-9-17(13)23(20,21)12-6-4-11(2)5-7-12/h4-7,13H,3,8-10H2,1-2H3,(H,16,19)/t13-/m1/s1.
What are the key properties of ethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate?
ethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate has a molecular weight of 340.40 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 1479019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).