ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate

C14H18N2O5S — CID 1479034

IUPACethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H18N2O5S/c1-2-21-13(17)10-12-14(18)15-8-9-16(12)22(19,20)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyAKYICDAFJXEQMB-LBPRGKRZSA-N
MW326.37 g/mol
LogP0.13
Rot. Bonds5

About ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate

ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 1479034) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate
PubChem CID1479034
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Nameethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H18N2O5S/c1-2-21-13(17)10-12-14(18)15-8-9-16(12)22(19,20)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyAKYICDAFJXEQMB-LBPRGKRZSA-N
XLogP0.13
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 1479019
ethyl 2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 1479023
methyl 2-[1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 17404752
methyl 3-[[2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetyl]amino]propanoate
CID 51716885
ethyl 2-[(2S)-1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 1478976
ethyl 2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 3767271
2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 39311068
(3R)-4-(benzenesulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
CID 40933027
2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(2,2-dimethoxyethyl)acetamide
CID 51718191
methyl 2-[(2R)-1-(4-bromophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 25402199
3-methylbutyl 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 17079717
methyl 2-[1-(3-bromophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 17404766

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate (CID 1479034) is ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate is CCOC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is AKYICDAFJXEQMB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-2-21-13(17)10-12-14(18)15-8-9-16(12)22(19,20)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,18)/t12-/m0/s1.
What are the key properties of ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate?
ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 326.37 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 1479034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).