4-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylaniline

C13H17N3S — CID 105287491

IUPAC4-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(NN)c2cccs2)cc1
InChIInChI=1S/C13H17N3S/c1-16(2)11-7-5-10(6-8-11)13(15-14)12-4-3-9-17-12/h3-9,13,15H,14H2,1-2H3
InChIKeyWMWSXPAEUPSHFJ-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.37
Rot. Bonds4

About 4-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylaniline

4-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylaniline (PubChem CID 105287491) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylaniline
PubChem CID105287491
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(NN)c2cccs2)cc1
InChIInChI=1S/C13H17N3S/c1-16(2)11-7-5-10(6-8-11)13(15-14)12-4-3-9-17-12/h3-9,13,15H,14H2,1-2H3
InChIKeyWMWSXPAEUPSHFJ-UHFFFAOYSA-N
XLogP2.37
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[phenyl(thiophen-2-yl)methyl]hydrazine
CID 53403118
[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]hydrazine
CID 105287585
(R)-[4-(dimethylamino)phenyl]-thiophen-2-ylmethanol
CID 686964
1-thiophen-2-ylethylhydrazine
CID 18071025
4-[furan-3-yl(hydrazinyl)methyl]-N,N-dimethylaniline
CID 105305795
N,N-dimethyl-4-[piperazin-1-yl(thiophen-2-yl)methyl]aniline
CID 4988870
N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline
CID 115970393
1-(4-fluorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393729
[2,3-dihydrofuran-5-yl(thiophen-2-yl)methyl]hydrazine
CID 102654047
4-(1-hydrazinyl-2,2-dimethylpropyl)-N,N-dimethylaniline
CID 105305247
3-[hydrazinyl(phenyl)methyl]-N,N-dimethylaniline
CID 105282900
4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline
CID 105323075

Frequently Asked Questions

What is the IUPAC name of 4-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylaniline (CID 105287491) is 4-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylaniline is CN(C)c1ccc(C(NN)c2cccs2)cc1.
What is the InChIKey of 4-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylaniline?
The InChIKey is WMWSXPAEUPSHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-16(2)11-7-5-10(6-8-11)13(15-14)12-4-3-9-17-12/h3-9,13,15H,14H2,1-2H3.
What are the key properties of 4-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylaniline?
4-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylaniline has a molecular weight of 247.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydrazinyl(thiophen-2-yl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105287491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).