3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypropanimidamide

C7H15N3O3S — CID 43581534

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypropanimidamide
SMILESN/C(CCN1CCS(=O)(=O)CC1)=N\O
InChIInChI=1S/C7H15N3O3S/c8-7(9-11)1-2-10-3-5-14(12,13)6-4-10/h11H,1-6H2,(H2,8,9)
InChIKeyJJNYTYUDUOTZCB-UHFFFAOYSA-N
MW221.28 g/mol
LogP-1.15
Rot. Bonds3

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypropanimidamide

3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypropanimidamide (PubChem CID 43581534) has the molecular formula C7H15N3O3S and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypropanimidamide
PubChem CID43581534
Molecular FormulaC7H15N3O3S
Molecular Weight221.28 g/mol
Exact Mass221.08
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypropanimidamide
SMILESN/C(CCN1CCS(=O)(=O)CC1)=N\O
InChIInChI=1S/C7H15N3O3S/c8-7(9-11)1-2-10-3-5-14(12,13)6-4-10/h11H,1-6H2,(H2,8,9)
InChIKeyJJNYTYUDUOTZCB-UHFFFAOYSA-N
XLogP-1.15
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-1.15
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 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypropanimidamide (CID 43581534) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypropanimidamide is N/C(CCN1CCS(=O)(=O)CC1)=N\O.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypropanimidamide?
The InChIKey is JJNYTYUDUOTZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3S/c8-7(9-11)1-2-10-3-5-14(12,13)6-4-10/h11H,1-6H2,(H2,8,9).
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypropanimidamide?
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypropanimidamide has a molecular weight of 221.28 g/mol, XLogP of -1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxypropanimidamide is sourced from PubChem (CID 43581534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).