6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide

C12H25N3O3S — CID 106710744

IUPAC6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCN1CCS(=O)(=O)CC1)C(N)=NO
InChIInChI=1S/C12H25N3O3S/c1-12(2,11(13)14-16)5-3-4-6-15-7-9-19(17,18)10-8-15/h16H,3-10H2,1-2H3,(H2,13,14)
InChIKeyJASYOLOTOMMLGC-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.66
Rot. Bonds6

About 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide

6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106710744) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106710744
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCN1CCS(=O)(=O)CC1)C(N)=NO
InChIInChI=1S/C12H25N3O3S/c1-12(2,11(13)14-16)5-3-4-6-15-7-9-19(17,18)10-8-15/h16H,3-10H2,1-2H3,(H2,13,14)
InChIKeyJASYOLOTOMMLGC-UHFFFAOYSA-N
XLogP0.66
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063823
N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide
CID 106710684
6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710782
6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710747
N'-hydroxy-2,2-dimethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanimidamide
CID 106711385
N'-hydroxy-2,2-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 77063833
6-(1,1-dioxo-1,4-thiazepan-4-yl)-2,2-dimethylhexan-1-amine
CID 114083387
N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide
CID 106710748
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76920595
5-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylpentan-1-amine
CID 65254132
4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062138
N'-hydroxy-2,2-dimethyl-4-piperidin-1-ylbutanimidamide
CID 77062923

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106710744) is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide is CC(C)(CCCCN1CCS(=O)(=O)CC1)C(N)=NO.
What is the InChIKey of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is JASYOLOTOMMLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-12(2,11(13)14-16)5-3-4-6-15-7-9-19(17,18)10-8-15/h16H,3-10H2,1-2H3,(H2,13,14).
What are the key properties of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide?
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 291.42 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106710744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).