[3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine

C12H18N4O2S — CID 80912767

IUPAC[3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine
SMILESCC1CN(c2cc(NN)cc([N+](=O)[O-])c2)CC(C)S1
InChIInChI=1S/C12H18N4O2S/c1-8-6-15(7-9(2)19-8)11-3-10(14-13)4-12(5-11)16(17)18/h3-5,8-9,14H,6-7,13H2,1-2H3
InChIKeyGFYZUCZBOHWVIS-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.21
Rot. Bonds3

About [3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine

[3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine (PubChem CID 80912767) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is [3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine
PubChem CID80912767
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name[3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine
SMILESCC1CN(c2cc(NN)cc([N+](=O)[O-])c2)CC(C)S1
InChIInChI=1S/C12H18N4O2S/c1-8-6-15(7-9(2)19-8)11-3-10(14-13)4-12(5-11)16(17)18/h3-5,8-9,14H,6-7,13H2,1-2H3
InChIKeyGFYZUCZBOHWVIS-UHFFFAOYSA-N
XLogP2.21
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
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

1-(3-hydrazinyl-5-nitrophenyl)pyrrolidine-3,4-diol
CID 106674650
[3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine
CID 113419535
[3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine
CID 102971959
1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol
CID 80931571
3-(2,6-dimethylmorpholin-4-yl)-N-methyl-5-nitroaniline
CID 80763894
[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine
CID 102887930
[3-(3,5-dimethylpyrazol-1-yl)-5-nitrophenyl]hydrazine
CID 80900658
[1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol
CID 80898618
3-(2,6-dimethylmorpholin-4-yl)-5-nitroaniline
CID 80764863
[3-(2-methylimidazol-1-yl)-5-nitrophenyl]hydrazine
CID 80902141
N,N-dimethyl-1-[3-(methylamino)-5-nitrophenyl]pyrrolidin-3-amine
CID 80831522
N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)-5-nitroaniline
CID 80817019

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine?
The IUPAC name of [3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine (CID 80912767) is [3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine.
What is the SMILES notation for [3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine?
The canonical SMILES for [3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine is CC1CN(c2cc(NN)cc([N+](=O)[O-])c2)CC(C)S1.
What is the InChIKey of [3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine?
The InChIKey is GFYZUCZBOHWVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-8-6-15(7-9(2)19-8)11-3-10(14-13)4-12(5-11)16(17)18/h3-5,8-9,14H,6-7,13H2,1-2H3.
What are the key properties of [3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine?
[3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine has a molecular weight of 282.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine is sourced from PubChem (CID 80912767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).