methyl 2-[3-oxo-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-2-yl]acetate

C14H15N3O7S — CID 19259639

IUPACmethyl 2-[3-oxo-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H15N3O7S/c1-23-12(18)7-10-13(19)15-4-5-17(10)25(21,22)8-2-3-9-11(6-8)24-14(20)16-9/h2-3,6,10H,4-5,7H2,1H3,(H,15,19)(H,16,20)
InChIKeyZJBIRTVZYNTGDI-UHFFFAOYSA-N
MW369.36 g/mol
LogP-0.83
Rot. Bonds4

About methyl 2-[3-oxo-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-2-yl]acetate

methyl 2-[3-oxo-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-2-yl]acetate (PubChem CID 19259639) has the molecular formula C14H15N3O7S and a molecular weight of 369.36 g/mol. Its IUPAC name is methyl 2-[3-oxo-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-oxo-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-2-yl]acetate
PubChem CID19259639
Molecular FormulaC14H15N3O7S
Molecular Weight369.36 g/mol
Exact Mass369.06
IUPAC Namemethyl 2-[3-oxo-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H15N3O7S/c1-23-12(18)7-10-13(19)15-4-5-17(10)25(21,22)8-2-3-9-11(6-8)24-14(20)16-9/h2-3,6,10H,4-5,7H2,1H3,(H,15,19)(H,16,20)
InChIKeyZJBIRTVZYNTGDI-UHFFFAOYSA-N
XLogP-0.83
TPSA138.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[3-oxo-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 17404752
methyl 2-[(2R)-1-(4-bromophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 25402199
methyl 2-[1-(3-bromophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 17404766
6-(3-oxo-2-phenylpiperazin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 110644647
methyl 3-[2-(2-methoxy-2-oxoethyl)-3-oxopiperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 18277675
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
ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate
CID 1479034
methyl 3-[[2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetyl]amino]propanoate
CID 51716885
6-[(2-methyl-1,3-oxazinan-3-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110739902
3-methylbutyl 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 17079717
6-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 110285970

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-oxo-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-2-yl]acetate?
The IUPAC name of methyl 2-[3-oxo-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-2-yl]acetate (CID 19259639) is methyl 2-[3-oxo-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-oxo-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[3-oxo-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-2-yl]acetate is COC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of methyl 2-[3-oxo-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-2-yl]acetate?
The InChIKey is ZJBIRTVZYNTGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O7S/c1-23-12(18)7-10-13(19)15-4-5-17(10)25(21,22)8-2-3-9-11(6-8)24-14(20)16-9/h2-3,6,10H,4-5,7H2,1H3,(H,15,19)(H,16,20).
What are the key properties of methyl 2-[3-oxo-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-2-yl]acetate?
methyl 2-[3-oxo-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-2-yl]acetate has a molecular weight of 369.36 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-oxo-1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperazin-2-yl]acetate is sourced from PubChem (CID 19259639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).