2-(5-nitrothiophen-2-yl)piperazine

C8H11N3O2S — CID 91310303

IUPAC2-(5-nitrothiophen-2-yl)piperazine
SMILESO=[N+]([O-])c1ccc(C2CNCCN2)s1
InChIInChI=1S/C8H11N3O2S/c12-11(13)8-2-1-7(14-8)6-5-9-3-4-10-6/h1-2,6,9-10H,3-5H2
InChIKeyJQYPWYZNFNDCFM-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.89
Rot. Bonds2

About 2-(5-nitrothiophen-2-yl)piperazine

2-(5-nitrothiophen-2-yl)piperazine (PubChem CID 91310303) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-(5-nitrothiophen-2-yl)piperazine.

Molecular Properties

Compound Name2-(5-nitrothiophen-2-yl)piperazine
PubChem CID91310303
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-(5-nitrothiophen-2-yl)piperazine
SMILESO=[N+]([O-])c1ccc(C2CNCCN2)s1
InChIInChI=1S/C8H11N3O2S/c12-11(13)8-2-1-7(14-8)6-5-9-3-4-10-6/h1-2,6,9-10H,3-5H2
InChIKeyJQYPWYZNFNDCFM-UHFFFAOYSA-N
XLogP0.89
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
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

(S)-6-methyl-2-nitro-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 44447173
(3-Fluorophenyl)[(5-nitro-2-thienyl)methyl]amine
CID 783812
(4-Fluorophenyl)[(5-nitro-2-thienyl)methyl]amine
CID 784006
(R)-6-methyl-2-nitro-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 44447172
1-[(5-Nitro-2-thienyl)methyl]-4-phenyl-piperazine
CID 127040798
Cambridge id 5429559
CID 2846065
1-Methyl-4-[(5-nitro-2-thienyl)methyl]piperazine
CID 677232
N-(2-nitro-1-thiophen-2-ylethyl)aniline
CID 112465090
(3,4-Difluorophenyl)[(5-nitro-2-thienyl)methyl]amine
CID 6456380
1-(4-Fluorophenyl)-4-[(5-nitrothiophen-2-yl)methyl]piperazin-4-ium
CID 6937403
1-(2-Fluorophenyl)-4-[(5-nitrothiophen-2-yl)methyl]piperazin-4-ium
CID 6943588
2,4-difluoro-N-[(5-nitrothiophen-2-yl)methyl]aniline
CID 102609776

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitrothiophen-2-yl)piperazine?
The IUPAC name of 2-(5-nitrothiophen-2-yl)piperazine (CID 91310303) is 2-(5-nitrothiophen-2-yl)piperazine.
What is the SMILES notation for 2-(5-nitrothiophen-2-yl)piperazine?
The canonical SMILES for 2-(5-nitrothiophen-2-yl)piperazine is O=[N+]([O-])c1ccc(C2CNCCN2)s1.
What is the InChIKey of 2-(5-nitrothiophen-2-yl)piperazine?
The InChIKey is JQYPWYZNFNDCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-11(13)8-2-1-7(14-8)6-5-9-3-4-10-6/h1-2,6,9-10H,3-5H2.
What are the key properties of 2-(5-nitrothiophen-2-yl)piperazine?
2-(5-nitrothiophen-2-yl)piperazine has a molecular weight of 213.26 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitrothiophen-2-yl)piperazine is sourced from PubChem (CID 91310303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).