[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine

C11H16N4O4S — CID 102887930

IUPAC[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine
SMILESCC1CS(=O)(=O)CCN1c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O4S/c1-8-7-20(18,19)3-2-14(8)10-4-9(13-12)5-11(6-10)15(16)17/h4-6,8,13H,2-3,7,12H2,1H3
InChIKeyNTBKITXIMWKDPS-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.50
Rot. Bonds3

About [3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine

[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine (PubChem CID 102887930) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is [3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine
PubChem CID102887930
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine
SMILESCC1CS(=O)(=O)CCN1c1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O4S/c1-8-7-20(18,19)3-2-14(8)10-4-9(13-12)5-11(6-10)15(16)17/h4-6,8,13H,2-3,7,12H2,1H3
InChIKeyNTBKITXIMWKDPS-UHFFFAOYSA-N
XLogP0.50
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(2,6-dimethylthiomorpholin-4-yl)-5-nitrophenyl]hydrazine
CID 80912767
N-methyl-3-(2-methylpyrrolidin-1-yl)-5-nitroaniline
CID 80790491
[1-(3-hydrazinyl-5-nitrophenyl)pyrrolidin-2-yl]methanol
CID 80898618
2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
CID 102882558
1-(3-hydrazinyl-5-nitrophenyl)pyrrolidine-3,4-diol
CID 106674650
1-(3-hydrazinyl-5-nitrophenyl)piperidin-4-ol
CID 80931571
N-(3-hydrazinyl-5-nitrophenyl)-1,1-dioxothian-3-amine
CID 80912856
5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-nitrobenzonitrile
CID 102883397
4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide
CID 83104244
[3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine
CID 102971959
N-ethyl-3-(2-methylpiperidin-1-yl)-5-nitroaniline
CID 80766851
[3-nitro-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]hydrazine
CID 113419535

Frequently Asked Questions

What is the IUPAC name of [3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine?
The IUPAC name of [3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine (CID 102887930) is [3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine.
What is the SMILES notation for [3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine?
The canonical SMILES for [3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine is CC1CS(=O)(=O)CCN1c1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of [3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine?
The InChIKey is NTBKITXIMWKDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-8-7-20(18,19)3-2-14(8)10-4-9(13-12)5-11(6-10)15(16)17/h4-6,8,13H,2-3,7,12H2,1H3.
What are the key properties of [3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine?
[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine has a molecular weight of 300.34 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-nitrophenyl]hydrazine is sourced from PubChem (CID 102887930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).