4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione

C10H11N3O3S — CID 66063821

IUPAC4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1sccc1N
InChIInChI=1S/C10H11N3O3S/c1-5-9(15)12-7(14)4-13(5)10(16)8-6(11)2-3-17-8/h2-3,5H,4,11H2,1H3,(H,12,14,15)
InChIKeyXHKRODNSNFYZAC-UHFFFAOYSA-N
MW253.28 g/mol
LogP-0.18
Rot. Bonds1

About 4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione

4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione (PubChem CID 66063821) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione
PubChem CID66063821
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1sccc1N
InChIInChI=1S/C10H11N3O3S/c1-5-9(15)12-7(14)4-13(5)10(16)8-6(11)2-3-17-8/h2-3,5H,4,11H2,1H3,(H,12,14,15)
InChIKeyXHKRODNSNFYZAC-UHFFFAOYSA-N
XLogP-0.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-hydroxybut-1-ynyl)thiophene-2-carbonyl]-3-methylpiperazine-2,6-dione
CID 66073922
4-(4-amino-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061873
4-(3-amino-4-chlorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66062454
4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 66076434
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione
CID 66061604
4-[4-(aminomethyl)benzoyl]-3-methylpiperazine-2,6-dione
CID 66063044
4-(5-bromothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66061181
4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061337
4-(2,6-dichlorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66062103
4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062263
4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062066
3-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione
CID 66063481

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione (CID 66063821) is 4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)c1sccc1N.
What is the InChIKey of 4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione?
The InChIKey is XHKRODNSNFYZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-5-9(15)12-7(14)4-13(5)10(16)8-6(11)2-3-17-8/h2-3,5H,4,11H2,1H3,(H,12,14,15).
What are the key properties of 4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione?
4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione has a molecular weight of 253.28 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66063821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).