4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide

C11H19N3O5S — CID 76920417

IUPAC4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCS(=O)(=O)CC2)CCOCC1
InChIInChI=1S/C11H19N3O5S/c12-9(13-16)11(1-5-19-6-2-11)10(15)14-3-7-20(17,18)8-4-14/h16H,1-8H2,(H2,12,13)
InChIKeyXXIWFNJZBFFWRT-UHFFFAOYSA-N
MW305.36 g/mol
LogP-1.21
Rot. Bonds2

About 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide

4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide (PubChem CID 76920417) has the molecular formula C11H19N3O5S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide
PubChem CID76920417
Molecular FormulaC11H19N3O5S
Molecular Weight305.36 g/mol
Exact Mass305.10
IUPAC Name4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCS(=O)(=O)CC2)CCOCC1
InChIInChI=1S/C11H19N3O5S/c12-9(13-16)11(1-5-19-6-2-11)10(15)14-3-7-20(17,18)8-4-14/h16H,1-8H2,(H2,12,13)
InChIKeyXXIWFNJZBFFWRT-UHFFFAOYSA-N
XLogP-1.21
TPSA122.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide
CID 80590834
N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide
CID 76919469
1-(azocane-1-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 76919438
4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide
CID 76921023
N'-hydroxy-4-(3-oxopiperazine-1-carbonyl)oxane-4-carboximidamide
CID 76919329
N'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide
CID 104876801
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920789
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide
CID 76986956
4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide
CID 81464935
N'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide
CID 76920695
4-(N'-hydroxycarbamimidoyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)oxane-4-carboxamide
CID 76923707

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide (CID 76920417) is 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide is NC(=NO)C1(C(=O)N2CCS(=O)(=O)CC2)CCOCC1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide?
The InChIKey is XXIWFNJZBFFWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5S/c12-9(13-16)11(1-5-19-6-2-11)10(15)14-3-7-20(17,18)8-4-14/h16H,1-8H2,(H2,12,13).
What are the key properties of 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide?
4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide has a molecular weight of 305.36 g/mol, XLogP of -1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide is sourced from PubChem (CID 76920417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).