3-methyl-1,1-dioxo-1,4-thiazinan-4-amine

C5H12N2O2S — CID 25085699

IUPAC3-methyl-1,1-dioxo-1,4-thiazinan-4-amine
SMILESCC1CS(=O)(=O)CCN1N
InChIInChI=1S/C5H12N2O2S/c1-5-4-10(8,9)3-2-7(5)6/h5H,2-4,6H2,1H3
InChIKeyPKUNWUDZEDWLDY-UHFFFAOYSA-N
MW164.23 g/mol
LogP-1.02
Rot. Bonds

About 3-methyl-1,1-dioxo-1,4-thiazinan-4-amine

3-methyl-1,1-dioxo-1,4-thiazinan-4-amine (PubChem CID 25085699) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 3-methyl-1,1-dioxo-1,4-thiazinan-4-amine.

Molecular Properties

Compound Name3-methyl-1,1-dioxo-1,4-thiazinan-4-amine
PubChem CID25085699
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name3-methyl-1,1-dioxo-1,4-thiazinan-4-amine
SMILESCC1CS(=O)(=O)CCN1N
InChIInChI=1S/C5H12N2O2S/c1-5-4-10(8,9)3-2-7(5)6/h5H,2-4,6H2,1H3
InChIKeyPKUNWUDZEDWLDY-UHFFFAOYSA-N
XLogP-1.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,1-dioxo-1,4-thiazinan-4-amine?
The IUPAC name of 3-methyl-1,1-dioxo-1,4-thiazinan-4-amine (CID 25085699) is 3-methyl-1,1-dioxo-1,4-thiazinan-4-amine.
What is the SMILES notation for 3-methyl-1,1-dioxo-1,4-thiazinan-4-amine?
The canonical SMILES for 3-methyl-1,1-dioxo-1,4-thiazinan-4-amine is CC1CS(=O)(=O)CCN1N.
What is the InChIKey of 3-methyl-1,1-dioxo-1,4-thiazinan-4-amine?
The InChIKey is PKUNWUDZEDWLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-5-4-10(8,9)3-2-7(5)6/h5H,2-4,6H2,1H3.
What are the key properties of 3-methyl-1,1-dioxo-1,4-thiazinan-4-amine?
3-methyl-1,1-dioxo-1,4-thiazinan-4-amine has a molecular weight of 164.23 g/mol, XLogP of -1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-dioxo-1,4-thiazinan-4-amine is sourced from PubChem (CID 25085699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).