4-(3-aminothiophene-2-carbonyl)piperazin-2-one

C9H11N3O2S — CID 61090174

IUPAC4-(3-aminothiophene-2-carbonyl)piperazin-2-one
SMILESNc1ccsc1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C9H11N3O2S/c10-6-1-4-15-8(6)9(14)12-3-2-11-7(13)5-12/h1,4H,2-3,5,10H2,(H,11,13)
InChIKeyJIBYORIWSUTIEB-UHFFFAOYSA-N
MW225.27 g/mol
LogP-0.10
Rot. Bonds1

About 4-(3-aminothiophene-2-carbonyl)piperazin-2-one

4-(3-aminothiophene-2-carbonyl)piperazin-2-one (PubChem CID 61090174) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-(3-aminothiophene-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-aminothiophene-2-carbonyl)piperazin-2-one
PubChem CID61090174
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name4-(3-aminothiophene-2-carbonyl)piperazin-2-one
SMILESNc1ccsc1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C9H11N3O2S/c10-6-1-4-15-8(6)9(14)12-3-2-11-7(13)5-12/h1,4H,2-3,5,10H2,(H,11,13)
InChIKeyJIBYORIWSUTIEB-UHFFFAOYSA-N
XLogP-0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-hydroxyprop-1-ynyl)thiophene-2-carbonyl]piperazin-2-one
CID 63798114
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
4-(2-amino-5-methylbenzoyl)piperazin-2-one
CID 62510710
(3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407063
(3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 61091260
4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide
CID 61140085
4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one
CID 107112795
(3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63157037
4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one
CID 82832628
4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-2-one
CID 66378570
4-(2-amino-6-methoxybenzoyl)piperazin-2-one
CID 81410266
4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]-1,4-diazepan-2-one
CID 62898172

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminothiophene-2-carbonyl)piperazin-2-one?
The IUPAC name of 4-(3-aminothiophene-2-carbonyl)piperazin-2-one (CID 61090174) is 4-(3-aminothiophene-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(3-aminothiophene-2-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(3-aminothiophene-2-carbonyl)piperazin-2-one is Nc1ccsc1C(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(3-aminothiophene-2-carbonyl)piperazin-2-one?
The InChIKey is JIBYORIWSUTIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c10-6-1-4-15-8(6)9(14)12-3-2-11-7(13)5-12/h1,4H,2-3,5,10H2,(H,11,13).
What are the key properties of 4-(3-aminothiophene-2-carbonyl)piperazin-2-one?
4-(3-aminothiophene-2-carbonyl)piperazin-2-one has a molecular weight of 225.27 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminothiophene-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 61090174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).