4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione

C9H8N2O3S2 — CID 107031711

IUPAC4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2cc(S)cs2)CC(=O)N1
InChIInChI=1S/C9H8N2O3S2/c12-7-2-11(3-8(13)10-7)9(14)6-1-5(15)4-16-6/h1,4,15H,2-3H2,(H,10,12,13)
InChIKeyLKRIJYKMDQLCCP-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.14
Rot. Bonds1

About 4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione

4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione (PubChem CID 107031711) has the molecular formula C9H8N2O3S2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione
PubChem CID107031711
Molecular FormulaC9H8N2O3S2
Molecular Weight256.31 g/mol
Exact Mass256.00
IUPAC Name4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)c2cc(S)cs2)CC(=O)N1
InChIInChI=1S/C9H8N2O3S2/c12-7-2-11(3-8(13)10-7)9(14)6-1-5(15)4-16-6/h1,4,15H,2-3H2,(H,10,12,13)
InChIKeyLKRIJYKMDQLCCP-UHFFFAOYSA-N
XLogP0.14
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tenilsetam
CID 65649
4-Piperidyl-1-(2-thienylcarbonyl)piperidine-4-carboxamide
CID 687901
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 40233426
(4-Ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 770531
1-(1-Piperidinylsulfonyl)-4-(2-thienylcarbonyl)piperazine
CID 1258912
N-{4-[(2-thienylcarbonyl)amino]butyl}-2-thiophenecarboxamide
CID 1752547
N-[3-(4-morpholinyl)propyl]-2-thiophenecarboxamide
CID 2292963
(1,4-Diazepan-1-yl)(thiophen-2-yl)methanone
CID 2795677
Thiophene-2-carboxylic acid [(4,5-dihydro-thiazol-2-ylcarbamoyl)-methyl]-amide
CID 745457
Cambridge id 7102043
CID 1332056

Frequently Asked Questions

What is the IUPAC name of 4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione (CID 107031711) is 4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione is O=C1CN(C(=O)c2cc(S)cs2)CC(=O)N1.
What is the InChIKey of 4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione?
The InChIKey is LKRIJYKMDQLCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S2/c12-7-2-11(3-8(13)10-7)9(14)6-1-5(15)4-16-6/h1,4,15H,2-3H2,(H,10,12,13).
What are the key properties of 4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione?
4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione has a molecular weight of 256.31 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-sulfanylthiophene-2-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 107031711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).