2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide

C12H16N4O7S2 — CID 2766093

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide
SMILESO=C(CN1CCS(=O)(=O)CC1)NNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O7S2/c17-12(9-15-5-7-24(20,21)8-6-15)13-14-25(22,23)11-4-2-1-3-10(11)16(18)19/h1-4,14H,5-9H2,(H,13,17)
InChIKeyARXXFHSIXWUEGJ-UHFFFAOYSA-N
MW392.42 g/mol
LogP-1.37
Rot. Bonds6

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide (PubChem CID 2766093) has the molecular formula C12H16N4O7S2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide
PubChem CID2766093
Molecular FormulaC12H16N4O7S2
Molecular Weight392.42 g/mol
Exact Mass392.05
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide
SMILESO=C(CN1CCS(=O)(=O)CC1)NNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O7S2/c17-12(9-15-5-7-24(20,21)8-6-15)13-14-25(22,23)11-4-2-1-3-10(11)16(18)19/h1-4,14H,5-9H2,(H,13,17)
InChIKeyARXXFHSIXWUEGJ-UHFFFAOYSA-N
XLogP-1.37
TPSA155.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-yl)-N'-(2-nitrophenyl)sulfonyl-4-oxobutanehydrazide
CID 5120538
2-(4-ethylphenoxy)-N'-(2-nitrophenyl)sulfonylacetohydrazide
CID 3374896
N-(2-chlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2086351
N-(2-fluorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655894
2-hydroxy-3-methyl-N'-(2-nitrophenyl)sulfonylbenzohydrazide
CID 1009772
2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-pentylacetamide
CID 8687826
(2S)-2-[(2-nitrophenyl)sulfonylamino]butanedioic acid
CID 53474586
2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 2655902
N-(benzylcarbamoyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3930007
2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
CID 22199010
2-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 32682697
2-nitro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772629

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide (CID 2766093) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide is O=C(CN1CCS(=O)(=O)CC1)NNS(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide?
The InChIKey is ARXXFHSIXWUEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O7S2/c17-12(9-15-5-7-24(20,21)8-6-15)13-14-25(22,23)11-4-2-1-3-10(11)16(18)19/h1-4,14H,5-9H2,(H,13,17).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide has a molecular weight of 392.42 g/mol, XLogP of -1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 2766093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).