N-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide

C12H15N3O5S — CID 107437267

IUPACN-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(O)c(NC(=O)C2CNC(=O)CN2)c1
InChIInChI=1S/C12H15N3O5S/c1-21(19,20)7-2-3-10(16)8(4-7)15-12(18)9-5-14-11(17)6-13-9/h2-4,9,13,16H,5-6H2,1H3,(H,14,17)(H,15,18)
InChIKeyNVHFDFPUSNDISV-UHFFFAOYSA-N
MW313.34 g/mol
LogP-1.18
Rot. Bonds3

About N-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide

N-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107437267) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide
PubChem CID107437267
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC NameN-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(O)c(NC(=O)C2CNC(=O)CN2)c1
InChIInChI=1S/C12H15N3O5S/c1-21(19,20)7-2-3-10(16)8(4-7)15-12(18)9-5-14-11(17)6-13-9/h2-4,9,13,16H,5-6H2,1H3,(H,14,17)(H,15,18)
InChIKeyNVHFDFPUSNDISV-UHFFFAOYSA-N
XLogP-1.18
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 104901321
N-(2-hydroxy-5-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 81433795
N-(2-hydroxy-5-methylsulfonylphenyl)azepane-2-carboxamide
CID 81421925
N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide
CID 107436577
N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434896
N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434576
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate
CID 107433947
N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide
CID 76873147
N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107436239
N-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434603
3-chloro-4-[(5-oxopiperazine-2-carbonyl)amino]benzoic acid
CID 107436673

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide (CID 107437267) is N-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide is CS(=O)(=O)c1ccc(O)c(NC(=O)C2CNC(=O)CN2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is NVHFDFPUSNDISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-21(19,20)7-2-3-10(16)8(4-7)15-12(18)9-5-14-11(17)6-13-9/h2-4,9,13,16H,5-6H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide?
N-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 313.34 g/mol, XLogP of -1.18, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107437267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).