2-(5-nitrothiophen-2-yl)-1-piperazin-1-ylethanone

C10H13N3O3S — CID 82511968

IUPAC2-(5-nitrothiophen-2-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1ccc([N+](=O)[O-])s1)N1CCNCC1
InChIInChI=1S/C10H13N3O3S/c14-9(12-5-3-11-4-6-12)7-8-1-2-10(17-8)13(15)16/h1-2,11H,3-7H2
InChIKeyOMJPZQXFLKWDPJ-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.63
Rot. Bonds3

About 2-(5-nitrothiophen-2-yl)-1-piperazin-1-ylethanone

2-(5-nitrothiophen-2-yl)-1-piperazin-1-ylethanone (PubChem CID 82511968) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-(5-nitrothiophen-2-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(5-nitrothiophen-2-yl)-1-piperazin-1-ylethanone
PubChem CID82511968
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-(5-nitrothiophen-2-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1ccc([N+](=O)[O-])s1)N1CCNCC1
InChIInChI=1S/C10H13N3O3S/c14-9(12-5-3-11-4-6-12)7-8-1-2-10(17-8)13(15)16/h1-2,11H,3-7H2
InChIKeyOMJPZQXFLKWDPJ-UHFFFAOYSA-N
XLogP0.63
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone
CID 82130418
2-(4-nitrophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402554
(5-nitrothiophen-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66202829
(2-nitrophenyl)-piperazin-1-ylmethanone;piperazine
CID 174837455
4-nitro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119400810
3-(1,3-benzodioxol-5-yl)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 46464755
2-(5-ethylfuran-2-yl)-1-piperazin-1-ylethanone
CID 82509435
2-[methyl-[(5-nitrothiophen-3-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 61018940
4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83929402
1-[(1S)-2-fluoro-1-(5-nitrothiophen-2-yl)ethyl]piperazine
CID 171284439
1-[(1S)-2-fluoro-1-(5-nitrothiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171284440
2-(4-bromothiophen-2-yl)-1-(1,4-diazepan-1-yl)ethanone
CID 82308497

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitrothiophen-2-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(5-nitrothiophen-2-yl)-1-piperazin-1-ylethanone (CID 82511968) is 2-(5-nitrothiophen-2-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(5-nitrothiophen-2-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(5-nitrothiophen-2-yl)-1-piperazin-1-ylethanone is O=C(Cc1ccc([N+](=O)[O-])s1)N1CCNCC1.
What is the InChIKey of 2-(5-nitrothiophen-2-yl)-1-piperazin-1-ylethanone?
The InChIKey is OMJPZQXFLKWDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c14-9(12-5-3-11-4-6-12)7-8-1-2-10(17-8)13(15)16/h1-2,11H,3-7H2.
What are the key properties of 2-(5-nitrothiophen-2-yl)-1-piperazin-1-ylethanone?
2-(5-nitrothiophen-2-yl)-1-piperazin-1-ylethanone has a molecular weight of 255.30 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitrothiophen-2-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 82511968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).