4-(4-sulfanylbenzoyl)piperazin-2-one

C11H12N2O2S — CID 107021530

IUPAC4-(4-sulfanylbenzoyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2ccc(S)cc2)CCN1
InChIInChI=1S/C11H12N2O2S/c14-10-7-13(6-5-12-10)11(15)8-1-3-9(16)4-2-8/h1-4,16H,5-7H2,(H,12,14)
InChIKeyUBNZKRDDYMKFEN-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.55
Rot. Bonds1

About 4-(4-sulfanylbenzoyl)piperazin-2-one

4-(4-sulfanylbenzoyl)piperazin-2-one (PubChem CID 107021530) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-(4-sulfanylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-sulfanylbenzoyl)piperazin-2-one
PubChem CID107021530
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name4-(4-sulfanylbenzoyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2ccc(S)cc2)CCN1
InChIInChI=1S/C11H12N2O2S/c14-10-7-13(6-5-12-10)11(15)8-1-3-9(16)4-2-8/h1-4,16H,5-7H2,(H,12,14)
InChIKeyUBNZKRDDYMKFEN-UHFFFAOYSA-N
XLogP0.55
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
4-(3-oxopiperazine-1-carbonyl)benzonitrile
CID 24699494
4-(4-hydrazinylbenzoyl)piperazin-2-one
CID 62241624
4-(4-methylsulfonylbenzoyl)piperazin-2-one
CID 31095751
4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one
CID 62734574
N-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 35795642
4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one
CID 47111544
4-(3-bromo-4-fluorobenzoyl)piperazin-2-one
CID 103706381
4-[4-[(5-oxo-1,2-dihydropyrrol-3-yl)amino]benzoyl]piperazin-2-one
CID 125433756
4-(4-sulfanylthiophene-2-carbonyl)piperazin-2-one
CID 107021528
4-(3-iodobenzoyl)piperazin-2-one
CID 10381947
4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one
CID 82832628

Frequently Asked Questions

What is the IUPAC name of 4-(4-sulfanylbenzoyl)piperazin-2-one?
The IUPAC name of 4-(4-sulfanylbenzoyl)piperazin-2-one (CID 107021530) is 4-(4-sulfanylbenzoyl)piperazin-2-one.
What is the SMILES notation for 4-(4-sulfanylbenzoyl)piperazin-2-one?
The canonical SMILES for 4-(4-sulfanylbenzoyl)piperazin-2-one is O=C1CN(C(=O)c2ccc(S)cc2)CCN1.
What is the InChIKey of 4-(4-sulfanylbenzoyl)piperazin-2-one?
The InChIKey is UBNZKRDDYMKFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c14-10-7-13(6-5-12-10)11(15)8-1-3-9(16)4-2-8/h1-4,16H,5-7H2,(H,12,14).
What are the key properties of 4-(4-sulfanylbenzoyl)piperazin-2-one?
4-(4-sulfanylbenzoyl)piperazin-2-one has a molecular weight of 236.30 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-sulfanylbenzoyl)piperazin-2-one is sourced from PubChem (CID 107021530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).