2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide

C12H14Cl3N3O3S — CID 60547157

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
SMILESO=C(CN1CCS(=O)(=O)CC1)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl3N3O3S/c13-8-5-9(14)12(10(15)6-8)17-16-11(19)7-18-1-3-22(20,21)4-2-18/h5-6,17H,1-4,7H2,(H,16,19)
InChIKeyOUDPSCORLDRAPK-UHFFFAOYSA-N
MW386.69 g/mol
LogP1.82
Rot. Bonds4

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide (PubChem CID 60547157) has the molecular formula C12H14Cl3N3O3S and a molecular weight of 386.69 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
PubChem CID60547157
Molecular FormulaC12H14Cl3N3O3S
Molecular Weight386.69 g/mol
Exact Mass384.98
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
SMILESO=C(CN1CCS(=O)(=O)CC1)NNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl3N3O3S/c13-8-5-9(14)12(10(15)6-8)17-16-11(19)7-18-1-3-22(20,21)4-2-18/h5-6,17H,1-4,7H2,(H,16,19)
InChIKeyOUDPSCORLDRAPK-UHFFFAOYSA-N
XLogP1.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.69
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-chlorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43581141
2,4-dichloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82977282
[2-oxo-2-[2-(2,4,6-trichlorophenyl)hydrazinyl]ethyl]urea
CID 18288669
N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide
CID 29161558
N-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 47085188
N-(2-amino-4,6-dichlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 29031982
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 119922480
N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 47081676
2-cyclopent-2-en-1-yl-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 47113407
4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 51108757
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 36715165
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
CID 119928016

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide (CID 60547157) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide is O=C(CN1CCS(=O)(=O)CC1)NNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide?
The InChIKey is OUDPSCORLDRAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3N3O3S/c13-8-5-9(14)12(10(15)6-8)17-16-11(19)7-18-1-3-22(20,21)4-2-18/h5-6,17H,1-4,7H2,(H,16,19).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide has a molecular weight of 386.69 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide is sourced from PubChem (CID 60547157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).