1,1-dioxo-2-propan-2-ylthiazinan-3-one

C7H13NO3S — CID 59696357

IUPAC1,1-dioxo-2-propan-2-ylthiazinan-3-one
SMILESCC(C)N1C(=O)CCCS1(=O)=O
InChIInChI=1S/C7H13NO3S/c1-6(2)8-7(9)4-3-5-12(8,10)11/h6H,3-5H2,1-2H3
InChIKeyLELDNGJQUOSYKI-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.35
Rot. Bonds1

About 1,1-dioxo-2-propan-2-ylthiazinan-3-one

1,1-dioxo-2-propan-2-ylthiazinan-3-one (PubChem CID 59696357) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 1,1-dioxo-2-propan-2-ylthiazinan-3-one.

Molecular Properties

Compound Name1,1-dioxo-2-propan-2-ylthiazinan-3-one
PubChem CID59696357
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name1,1-dioxo-2-propan-2-ylthiazinan-3-one
SMILESCC(C)N1C(=O)CCCS1(=O)=O
InChIInChI=1S/C7H13NO3S/c1-6(2)8-7(9)4-3-5-12(8,10)11/h6H,3-5H2,1-2H3
InChIKeyLELDNGJQUOSYKI-UHFFFAOYSA-N
XLogP0.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-propan-2-ylthiazinan-3-one?
The IUPAC name of 1,1-dioxo-2-propan-2-ylthiazinan-3-one (CID 59696357) is 1,1-dioxo-2-propan-2-ylthiazinan-3-one.
What is the SMILES notation for 1,1-dioxo-2-propan-2-ylthiazinan-3-one?
The canonical SMILES for 1,1-dioxo-2-propan-2-ylthiazinan-3-one is CC(C)N1C(=O)CCCS1(=O)=O.
What is the InChIKey of 1,1-dioxo-2-propan-2-ylthiazinan-3-one?
The InChIKey is LELDNGJQUOSYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-6(2)8-7(9)4-3-5-12(8,10)11/h6H,3-5H2,1-2H3.
What are the key properties of 1,1-dioxo-2-propan-2-ylthiazinan-3-one?
1,1-dioxo-2-propan-2-ylthiazinan-3-one has a molecular weight of 191.25 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-propan-2-ylthiazinan-3-one is sourced from PubChem (CID 59696357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).