1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one

C8H16N2O2S — CID 166562120

IUPAC1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one
SMILES[H]N=S1(=O)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C8H16N2O2S/c1-7(2)8(11)10-3-5-13(9,12)6-4-10/h7,9H,3-6H2,1-2H3
InChIKeyVGWQDUSODYZOEH-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.53
Rot. Bonds1

About 1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one

1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one (PubChem CID 166562120) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one
PubChem CID166562120
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one
SMILES[H]N=S1(=O)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C8H16N2O2S/c1-7(2)8(11)10-3-5-13(9,12)6-4-10/h7,9H,3-6H2,1-2H3
InChIKeyVGWQDUSODYZOEH-UHFFFAOYSA-N
XLogP0.53
TPSA61.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one (CID 166562120) is 1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one is [H]N=S1(=O)CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one?
The InChIKey is VGWQDUSODYZOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-7(2)8(11)10-3-5-13(9,12)6-4-10/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one?
1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one has a molecular weight of 204.29 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one is sourced from PubChem (CID 166562120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).