3-(1,1-dioxo-1,4-thiazinan-4-yl)pentanimidamide

C9H19N3O2S — CID 43581552

IUPAC3-(1,1-dioxo-1,4-thiazinan-4-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19N3O2S/c1-2-8(7-9(10)11)12-3-5-15(13,14)6-4-12/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyFSSOSNOUNMOTAZ-UHFFFAOYSA-N
MW233.34 g/mol
LogP-0.18
Rot. Bonds4

About 3-(1,1-dioxo-1,4-thiazinan-4-yl)pentanimidamide

3-(1,1-dioxo-1,4-thiazinan-4-yl)pentanimidamide (PubChem CID 43581552) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,4-thiazinan-4-yl)pentanimidamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,4-thiazinan-4-yl)pentanimidamide
PubChem CID43581552
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name3-(1,1-dioxo-1,4-thiazinan-4-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19N3O2S/c1-2-8(7-9(10)11)12-3-5-15(13,14)6-4-12/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyFSSOSNOUNMOTAZ-UHFFFAOYSA-N
XLogP-0.18
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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)pentanimidamide?
The IUPAC name of 3-(1,1-dioxo-1,4-thiazinan-4-yl)pentanimidamide (CID 43581552) is 3-(1,1-dioxo-1,4-thiazinan-4-yl)pentanimidamide.
What is the SMILES notation for 3-(1,1-dioxo-1,4-thiazinan-4-yl)pentanimidamide?
The canonical SMILES for 3-(1,1-dioxo-1,4-thiazinan-4-yl)pentanimidamide is [H]/N=C(\N)CC(CC)N1CCS(=O)(=O)CC1.
What is the InChIKey of 3-(1,1-dioxo-1,4-thiazinan-4-yl)pentanimidamide?
The InChIKey is FSSOSNOUNMOTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-2-8(7-9(10)11)12-3-5-15(13,14)6-4-12/h8H,2-7H2,1H3,(H3,10,11).
What are the key properties of 3-(1,1-dioxo-1,4-thiazinan-4-yl)pentanimidamide?
3-(1,1-dioxo-1,4-thiazinan-4-yl)pentanimidamide has a molecular weight of 233.34 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,4-thiazinan-4-yl)pentanimidamide is sourced from PubChem (CID 43581552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).