1,1-dioxo-6-propyl-1,4-thiazinan-3-one

C7H13NO3S — CID 91618765

IUPAC1,1-dioxo-6-propyl-1,4-thiazinan-3-one
SMILESCCCC1CNC(=O)CS1(=O)=O
InChIInChI=1S/C7H13NO3S/c1-2-3-6-4-8-7(9)5-12(6,10)11/h6H,2-5H2,1H3,(H,8,9)
InChIKeyNUMNJOZZYWCRLH-UHFFFAOYSA-N
MW191.25 g/mol
LogP-0.30
Rot. Bonds2

About 1,1-dioxo-6-propyl-1,4-thiazinan-3-one

1,1-dioxo-6-propyl-1,4-thiazinan-3-one (PubChem CID 91618765) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 1,1-dioxo-6-propyl-1,4-thiazinan-3-one.

Molecular Properties

Compound Name1,1-dioxo-6-propyl-1,4-thiazinan-3-one
PubChem CID91618765
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name1,1-dioxo-6-propyl-1,4-thiazinan-3-one
SMILESCCCC1CNC(=O)CS1(=O)=O
InChIInChI=1S/C7H13NO3S/c1-2-3-6-4-8-7(9)5-12(6,10)11/h6H,2-5H2,1H3,(H,8,9)
InChIKeyNUMNJOZZYWCRLH-UHFFFAOYSA-N
XLogP-0.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-6-propyl-1,4-thiazinan-3-one?
The IUPAC name of 1,1-dioxo-6-propyl-1,4-thiazinan-3-one (CID 91618765) is 1,1-dioxo-6-propyl-1,4-thiazinan-3-one.
What is the SMILES notation for 1,1-dioxo-6-propyl-1,4-thiazinan-3-one?
The canonical SMILES for 1,1-dioxo-6-propyl-1,4-thiazinan-3-one is CCCC1CNC(=O)CS1(=O)=O.
What is the InChIKey of 1,1-dioxo-6-propyl-1,4-thiazinan-3-one?
The InChIKey is NUMNJOZZYWCRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-2-3-6-4-8-7(9)5-12(6,10)11/h6H,2-5H2,1H3,(H,8,9).
What are the key properties of 1,1-dioxo-6-propyl-1,4-thiazinan-3-one?
1,1-dioxo-6-propyl-1,4-thiazinan-3-one has a molecular weight of 191.25 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-6-propyl-1,4-thiazinan-3-one is sourced from PubChem (CID 91618765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).