(2-hydrazinyl-3-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

C11H14N4O4S — CID 115937034

IUPAC(2-hydrazinyl-3-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESNNc1c(C(=O)N2CCS(=O)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O4S/c12-13-10-8(2-1-3-9(10)15(17)18)11(16)14-4-6-20(19)7-5-14/h1-3,13H,4-7,12H2
InChIKeyMXTJBMDHYSAXFD-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.08
Rot. Bonds3

About (2-hydrazinyl-3-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

(2-hydrazinyl-3-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 115937034) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is (2-hydrazinyl-3-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(2-hydrazinyl-3-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID115937034
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name(2-hydrazinyl-3-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESNNc1c(C(=O)N2CCS(=O)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O4S/c12-13-10-8(2-1-3-9(10)15(17)18)11(16)14-4-6-20(19)7-5-14/h1-3,13H,4-7,12H2
InChIKeyMXTJBMDHYSAXFD-UHFFFAOYSA-N
XLogP0.08
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.08
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

(2-hydrazinyl-3-nitrophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 115936951
(3,3-dimethylpiperidin-1-yl)-(2-hydrazinyl-3-nitrophenyl)methanone
CID 115937192
azepan-1-yl-[2-(methylamino)-3-nitrophenyl]methanone
CID 115936404
4-(2-hydrazinyl-3-nitrobenzoyl)morpholine-2-carbonitrile
CID 115937240
(1,1-dioxo-1,4-thiazinan-4-yl)-[2-(methylamino)-3-nitrophenyl]methanone
CID 115936545
[2-(methylamino)-3-nitrophenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 112580603
[2-(ethylamino)-3-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 115936385
(2,3-difluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 62662160
(2,5-difluoro-4-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 104699339
[2-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 115936436
2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 115937147
[2-(methylamino)-3-nitrophenyl]-(4-methylazepan-1-yl)methanone
CID 115936769

Frequently Asked Questions

What is the IUPAC name of (2-hydrazinyl-3-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (2-hydrazinyl-3-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 115937034) is (2-hydrazinyl-3-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (2-hydrazinyl-3-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (2-hydrazinyl-3-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is NNc1c(C(=O)N2CCS(=O)CC2)cccc1[N+](=O)[O-].
What is the InChIKey of (2-hydrazinyl-3-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is MXTJBMDHYSAXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c12-13-10-8(2-1-3-9(10)15(17)18)11(16)14-4-6-20(19)7-5-14/h1-3,13H,4-7,12H2.
What are the key properties of (2-hydrazinyl-3-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
(2-hydrazinyl-3-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 298.32 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydrazinyl-3-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 115937034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).