4-(4-sulfanylthiophene-2-carbonyl)piperazin-2-one

C9H10N2O2S2 — CID 107021528

IUPAC4-(4-sulfanylthiophene-2-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(S)cs2)CCN1
InChIInChI=1S/C9H10N2O2S2/c12-8-4-11(2-1-10-8)9(13)7-3-6(14)5-15-7/h3,5,14H,1-2,4H2,(H,10,12)
InChIKeyZSYRBNWYOLZASA-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.61
Rot. Bonds1

About 4-(4-sulfanylthiophene-2-carbonyl)piperazin-2-one

4-(4-sulfanylthiophene-2-carbonyl)piperazin-2-one (PubChem CID 107021528) has the molecular formula C9H10N2O2S2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(4-sulfanylthiophene-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-sulfanylthiophene-2-carbonyl)piperazin-2-one
PubChem CID107021528
Molecular FormulaC9H10N2O2S2
Molecular Weight242.32 g/mol
Exact Mass242.02
IUPAC Name4-(4-sulfanylthiophene-2-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(S)cs2)CCN1
InChIInChI=1S/C9H10N2O2S2/c12-8-4-11(2-1-10-8)9(13)7-3-6(14)5-15-7/h3,5,14H,1-2,4H2,(H,10,12)
InChIKeyZSYRBNWYOLZASA-UHFFFAOYSA-N
XLogP0.61
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione
CID 107031711
4-(4-sulfanylbenzoyl)piperazin-2-one
CID 107021530
4-(5-iodothiophene-3-carbonyl)piperazin-2-one
CID 56783410
(3,3-dimethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 107032413
(4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 107021585
(3-aminopyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 107027846
4-(3-aminothiophene-2-carbonyl)piperazin-2-one
CID 61090174
4-(5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carbonyl)piperazin-2-one
CID 31097694
4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 66378570
(4-hydroxy-3-methylpiperidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 107036453
8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(4-sulfanylthiophen-2-yl)methanone
CID 107031825
4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one
CID 82832628

Frequently Asked Questions

What is the IUPAC name of 4-(4-sulfanylthiophene-2-carbonyl)piperazin-2-one?
The IUPAC name of 4-(4-sulfanylthiophene-2-carbonyl)piperazin-2-one (CID 107021528) is 4-(4-sulfanylthiophene-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(4-sulfanylthiophene-2-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(4-sulfanylthiophene-2-carbonyl)piperazin-2-one is O=C1CN(C(=O)c2cc(S)cs2)CCN1.
What is the InChIKey of 4-(4-sulfanylthiophene-2-carbonyl)piperazin-2-one?
The InChIKey is ZSYRBNWYOLZASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S2/c12-8-4-11(2-1-10-8)9(13)7-3-6(14)5-15-7/h3,5,14H,1-2,4H2,(H,10,12).
What are the key properties of 4-(4-sulfanylthiophene-2-carbonyl)piperazin-2-one?
4-(4-sulfanylthiophene-2-carbonyl)piperazin-2-one has a molecular weight of 242.32 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-sulfanylthiophene-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 107021528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).