2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide

C8H16N2O3S — CID 102886028

IUPAC2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide
SMILESCC1CS(=O)(=O)CCN1C(C)C(N)=O
InChIInChI=1S/C8H16N2O3S/c1-6-5-14(12,13)4-3-10(6)7(2)8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11)
InChIKeyZPWFSGCETLKKIL-UHFFFAOYSA-N
MW220.29 g/mol
LogP-1.02
Rot. Bonds2

About 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide

2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide (PubChem CID 102886028) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide.

Molecular Properties

Compound Name2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide
PubChem CID102886028
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide
SMILESCC1CS(=O)(=O)CCN1C(C)C(N)=O
InChIInChI=1S/C8H16N2O3S/c1-6-5-14(12,13)4-3-10(6)7(2)8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11)
InChIKeyZPWFSGCETLKKIL-UHFFFAOYSA-N
XLogP-1.02
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
CID 102885599
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 130503167
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 102882868
ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate
CID 102884445
N'-hydroxy-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanimidamide
CID 102883753
1-(2,4-dichlorophenyl)-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 102884663
2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide
CID 102886110
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid
CID 102884394
2-(3-methyl-1,4-oxazepan-4-yl)propanamide
CID 130943361
3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine
CID 102884252
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 103878593
2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile
CID 102886069

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
The IUPAC name of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide (CID 102886028) is 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide.
What is the SMILES notation for 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
The canonical SMILES for 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide is CC1CS(=O)(=O)CCN1C(C)C(N)=O.
What is the InChIKey of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
The InChIKey is ZPWFSGCETLKKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-6-5-14(12,13)4-3-10(6)7(2)8(9)11/h6-7H,3-5H2,1-2H3,(H2,9,11).
What are the key properties of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide?
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide has a molecular weight of 220.29 g/mol, XLogP of -1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide is sourced from PubChem (CID 102886028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).