5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide

C11H23N3O3S — CID 77063823

IUPAC5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCN1CCS(=O)(=O)CC1)C(N)=NO
InChIInChI=1S/C11H23N3O3S/c1-11(2,10(12)13-15)4-3-5-14-6-8-18(16,17)9-7-14/h15H,3-9H2,1-2H3,(H2,12,13)
InChIKeyJBLJTNKBFSOBSN-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.27
Rot. Bonds5

About 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063823) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063823
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCN1CCS(=O)(=O)CC1)C(N)=NO
InChIInChI=1S/C11H23N3O3S/c1-11(2,10(12)13-15)4-3-5-14-6-8-18(16,17)9-7-14/h15H,3-9H2,1-2H3,(H2,12,13)
InChIKeyJBLJTNKBFSOBSN-UHFFFAOYSA-N
XLogP0.27
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063823) is 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide is CC(C)(CCCN1CCS(=O)(=O)CC1)C(N)=NO.
What is the InChIKey of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is JBLJTNKBFSOBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-11(2,10(12)13-15)4-3-5-14-6-8-18(16,17)9-7-14/h15H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 277.39 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).