3-hydrazinyl-5-nitro-N-(1-thiophen-2-ylethyl)aniline

C12H14N4O2S — CID 80907046

IUPAC3-hydrazinyl-5-nitro-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(Nc1cc(NN)cc([N+](=O)[O-])c1)c1cccs1
InChIInChI=1S/C12H14N4O2S/c1-8(12-3-2-4-19-12)14-9-5-10(15-13)7-11(6-9)16(17)18/h2-8,14-15H,13H2,1H3
InChIKeyIXSJOUCLGPUUPZ-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.12
Rot. Bonds5

About 3-hydrazinyl-5-nitro-N-(1-thiophen-2-ylethyl)aniline

3-hydrazinyl-5-nitro-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 80907046) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 3-hydrazinyl-5-nitro-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name3-hydrazinyl-5-nitro-N-(1-thiophen-2-ylethyl)aniline
PubChem CID80907046
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name3-hydrazinyl-5-nitro-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(Nc1cc(NN)cc([N+](=O)[O-])c1)c1cccs1
InChIInChI=1S/C12H14N4O2S/c1-8(12-3-2-4-19-12)14-9-5-10(15-13)7-11(6-9)16(17)18/h2-8,14-15H,13H2,1H3
InChIKeyIXSJOUCLGPUUPZ-UHFFFAOYSA-N
XLogP3.12
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.12
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-nitro-5-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline
CID 80732659
3-hydrazinyl-5-nitro-N-propan-2-ylaniline
CID 80932452
4-bromo-3-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 79768302
2-chloro-4-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 42909509
3-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-nitroaniline
CID 80908192
6-nitro-N-[(1R)-1-thiophen-2-ylethyl]pyridin-3-amine
CID 94392449
3-hydrazinyl-N-(6-methylheptan-2-yl)-5-nitroaniline
CID 80897006
3-chloro-5-nitro-2-(1-thiophen-2-ylethylamino)benzoic acid
CID 107190097
5-nitro-2-(1-thiophen-2-ylethylamino)benzoic acid
CID 43399527
2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 103144969
3-nitro-4-[[(1R)-1-thiophen-2-ylethyl]amino]benzaldehyde
CID 9109260
3-ethoxy-5-nitro-N-(1-thiophen-2-ylpropyl)aniline
CID 80731660

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-5-nitro-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 3-hydrazinyl-5-nitro-N-(1-thiophen-2-ylethyl)aniline (CID 80907046) is 3-hydrazinyl-5-nitro-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 3-hydrazinyl-5-nitro-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 3-hydrazinyl-5-nitro-N-(1-thiophen-2-ylethyl)aniline is CC(Nc1cc(NN)cc([N+](=O)[O-])c1)c1cccs1.
What is the InChIKey of 3-hydrazinyl-5-nitro-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is IXSJOUCLGPUUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8(12-3-2-4-19-12)14-9-5-10(15-13)7-11(6-9)16(17)18/h2-8,14-15H,13H2,1H3.
What are the key properties of 3-hydrazinyl-5-nitro-N-(1-thiophen-2-ylethyl)aniline?
3-hydrazinyl-5-nitro-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 278.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-5-nitro-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 80907046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).