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

C7H13NO3S — CID 105445179

IUPAC1,1-dioxo-5-propan-2-yl-1,4-thiazinan-3-one
SMILESCC(C)C1CS(=O)(=O)CC(=O)N1
InChIInChI=1S/C7H13NO3S/c1-5(2)6-3-12(10,11)4-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyPDLCWBFIKODVBY-UHFFFAOYSA-N
MW191.25 g/mol
LogP-0.44
Rot. Bonds1

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

1,1-dioxo-5-propan-2-yl-1,4-thiazinan-3-one (PubChem CID 105445179) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 1,1-dioxo-5-propan-2-yl-1,4-thiazinan-3-one.

Molecular Properties

Compound Name1,1-dioxo-5-propan-2-yl-1,4-thiazinan-3-one
PubChem CID105445179
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name1,1-dioxo-5-propan-2-yl-1,4-thiazinan-3-one
SMILESCC(C)C1CS(=O)(=O)CC(=O)N1
InChIInChI=1S/C7H13NO3S/c1-5(2)6-3-12(10,11)4-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyPDLCWBFIKODVBY-UHFFFAOYSA-N
XLogP-0.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dioxo-5-propan-2-yl-1,4-thiazinan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propan-2-yl-1,3-thiazolidine 1,1-dioxide
CID 59396110
5-methyl-3-propan-2-yl-1,4-thiazepane 1,1-dioxide
CID 79395756
(3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 86676751
4-fluoro-3-methyl-6-propan-2-ylpiperidin-2-one
CID 170015577
6-propan-2-yl-4-(sulfanylmethyl)piperazin-2-one
CID 91163079
5,5-dimethyl-1,1-dioxo-1,4-thiazinan-3-one
CID 91618831
5-(1-hydroxyethyl)pyrrolidin-2-one
CID 15129755
5-bromo-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84644763
7-fluoro-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84630796
methyl 1,1,3-trioxo-1,4-thiazepane-5-carboxylate
CID 138039764
2-tert-butyl-1,1-dioxo-1,3-thiazolidin-4-one
CID 20804951
ethane;4-propan-2-yl-1,3-oxazolidin-2-one
CID 143133628

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-5-propan-2-yl-1,4-thiazinan-3-one?
The IUPAC name of 1,1-dioxo-5-propan-2-yl-1,4-thiazinan-3-one (CID 105445179) is 1,1-dioxo-5-propan-2-yl-1,4-thiazinan-3-one.
What is the SMILES notation for 1,1-dioxo-5-propan-2-yl-1,4-thiazinan-3-one?
The canonical SMILES for 1,1-dioxo-5-propan-2-yl-1,4-thiazinan-3-one is CC(C)C1CS(=O)(=O)CC(=O)N1.
What is the InChIKey of 1,1-dioxo-5-propan-2-yl-1,4-thiazinan-3-one?
The InChIKey is PDLCWBFIKODVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-5(2)6-3-12(10,11)4-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 1,1-dioxo-5-propan-2-yl-1,4-thiazinan-3-one?
1,1-dioxo-5-propan-2-yl-1,4-thiazinan-3-one has a molecular weight of 191.25 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-5-propan-2-yl-1,4-thiazinan-3-one is sourced from PubChem (CID 105445179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).