5-methyl-1,1-dioxo-4-propan-2-yl-1,4-thiazinan-3-one

C8H15NO3S — CID 176871779

IUPAC5-methyl-1,1-dioxo-4-propan-2-yl-1,4-thiazinan-3-one
SMILESCC(C)N1C(=O)CS(=O)(=O)CC1C
InChIInChI=1S/C8H15NO3S/c1-6(2)9-7(3)4-13(11,12)5-8(9)10/h6-7H,4-5H2,1-3H3
InChIKeyPFZZSPJXXOHOEM-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.04
Rot. Bonds1

About 5-methyl-1,1-dioxo-4-propan-2-yl-1,4-thiazinan-3-one

5-methyl-1,1-dioxo-4-propan-2-yl-1,4-thiazinan-3-one (PubChem CID 176871779) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 5-methyl-1,1-dioxo-4-propan-2-yl-1,4-thiazinan-3-one.

Molecular Properties

Compound Name5-methyl-1,1-dioxo-4-propan-2-yl-1,4-thiazinan-3-one
PubChem CID176871779
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name5-methyl-1,1-dioxo-4-propan-2-yl-1,4-thiazinan-3-one
SMILESCC(C)N1C(=O)CS(=O)(=O)CC1C
InChIInChI=1S/C8H15NO3S/c1-6(2)9-7(3)4-13(11,12)5-8(9)10/h6-7H,4-5H2,1-3H3
InChIKeyPFZZSPJXXOHOEM-UHFFFAOYSA-N
XLogP0.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,1-dioxo-4-propan-2-yl-1,4-thiazinan-3-one?
The IUPAC name of 5-methyl-1,1-dioxo-4-propan-2-yl-1,4-thiazinan-3-one (CID 176871779) is 5-methyl-1,1-dioxo-4-propan-2-yl-1,4-thiazinan-3-one.
What is the SMILES notation for 5-methyl-1,1-dioxo-4-propan-2-yl-1,4-thiazinan-3-one?
The canonical SMILES for 5-methyl-1,1-dioxo-4-propan-2-yl-1,4-thiazinan-3-one is CC(C)N1C(=O)CS(=O)(=O)CC1C.
What is the InChIKey of 5-methyl-1,1-dioxo-4-propan-2-yl-1,4-thiazinan-3-one?
The InChIKey is PFZZSPJXXOHOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-6(2)9-7(3)4-13(11,12)5-8(9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-methyl-1,1-dioxo-4-propan-2-yl-1,4-thiazinan-3-one?
5-methyl-1,1-dioxo-4-propan-2-yl-1,4-thiazinan-3-one has a molecular weight of 205.28 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,1-dioxo-4-propan-2-yl-1,4-thiazinan-3-one is sourced from PubChem (CID 176871779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).