3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline

C12H14N4O2S — CID 80897775

IUPAC3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline
SMILESNNc1cccc(NCCc2ccsc2)c1[N+](=O)[O-]
InChIInChI=1S/C12H14N4O2S/c13-15-11-3-1-2-10(12(11)16(17)18)14-6-4-9-5-7-19-8-9/h1-3,5,7-8,14-15H,4,6,13H2
InChIKeyZLEIUZDVWBBAMH-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.60
Rot. Bonds6

About 3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline

3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline (PubChem CID 80897775) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline.

Molecular Properties

Compound Name3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline
PubChem CID80897775
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline
SMILESNNc1cccc(NCCc2ccsc2)c1[N+](=O)[O-]
InChIInChI=1S/C12H14N4O2S/c13-15-11-3-1-2-10(12(11)16(17)18)14-6-4-9-5-7-19-8-9/h1-3,5,7-8,14-15H,4,6,13H2
InChIKeyZLEIUZDVWBBAMH-UHFFFAOYSA-N
XLogP2.60
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline
CID 102605049
3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide
CID 115549494
3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline
CID 80899703
3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline
CID 80931845
3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline
CID 80914228
3-N-methyl-2-nitro-1-N-propyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 80774178
3-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-nitroaniline
CID 106424721
3-hydrazinyl-N-(5-methylhexyl)-2-nitroaniline
CID 115327795
3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline
CID 80908222
5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol
CID 106138710
3-hydrazinyl-2-nitro-N-(thian-4-ylmethyl)aniline
CID 113488480
4,5-dimethoxy-2-nitro-N-(2-thiophen-3-ylethyl)aniline
CID 83005504

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline?
The IUPAC name of 3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline (CID 80897775) is 3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline.
What is the SMILES notation for 3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline?
The canonical SMILES for 3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline is NNc1cccc(NCCc2ccsc2)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline?
The InChIKey is ZLEIUZDVWBBAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c13-15-11-3-1-2-10(12(11)16(17)18)14-6-4-9-5-7-19-8-9/h1-3,5,7-8,14-15H,4,6,13H2.
What are the key properties of 3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline?
3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline has a molecular weight of 278.34 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)aniline is sourced from PubChem (CID 80897775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).