(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)-dimethylsulfanium

C6H11N2O3S+ — CID 78338615

IUPAC(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)-dimethylsulfanium
SMILESC[S+](C)C1C(=O)NC(=O)NC1O
InChIInChI=1S/C6H10N2O3S/c1-12(2)3-4(9)7-6(11)8-5(3)10/h3-4,9H,1-2H3,(H-,7,8,10,11)/p+1
InChIKeyDOQYNWZPIFADQZ-UHFFFAOYSA-O
MW191.23 g/mol
LogP-1.61
Rot. Bonds1

About (4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)-dimethylsulfanium

(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)-dimethylsulfanium (PubChem CID 78338615) has the molecular formula C6H11N2O3S+ and a molecular weight of 191.23 g/mol. Its IUPAC name is (4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)-dimethylsulfanium.

Molecular Properties

Compound Name(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)-dimethylsulfanium
PubChem CID78338615
Molecular FormulaC6H11N2O3S+
Molecular Weight191.23 g/mol
Exact Mass191.05
IUPAC Name(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)-dimethylsulfanium
SMILESC[S+](C)C1C(=O)NC(=O)NC1O
InChIInChI=1S/C6H10N2O3S/c1-12(2)3-4(9)7-6(11)8-5(3)10/h3-4,9H,1-2H3,(H-,7,8,10,11)/p+1
InChIKeyDOQYNWZPIFADQZ-UHFFFAOYSA-O
XLogP-1.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)-dimethylsulfanium?
The IUPAC name of (4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)-dimethylsulfanium (CID 78338615) is (4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)-dimethylsulfanium.
What is the SMILES notation for (4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)-dimethylsulfanium?
The canonical SMILES for (4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)-dimethylsulfanium is C[S+](C)C1C(=O)NC(=O)NC1O.
What is the InChIKey of (4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)-dimethylsulfanium?
The InChIKey is DOQYNWZPIFADQZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N2O3S/c1-12(2)3-4(9)7-6(11)8-5(3)10/h3-4,9H,1-2H3,(H-,7,8,10,11)/p+1.
What are the key properties of (4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)-dimethylsulfanium?
(4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)-dimethylsulfanium has a molecular weight of 191.23 g/mol, XLogP of -1.61, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)-dimethylsulfanium is sourced from PubChem (CID 78338615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).