N-[2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-2-oxoethyl]-2,2-dimethylpropanamide

C13H24N2O3S — CID 96537717

IUPACN-[2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)N1CC[S@](=O)C(C)(C)C1
InChIInChI=1S/C13H24N2O3S/c1-12(2,3)11(17)14-8-10(16)15-6-7-19(18)13(4,5)9-15/h6-9H2,1-5H3,(H,14,17)/t19-/m0/s1
InChIKeyFPFKQXYYBSFUDE-IBGZPJMESA-N
MW288.41 g/mol
LogP0.52
Rot. Bonds2

About N-[2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 96537717) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-[2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID96537717
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-[2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)N1CC[S@](=O)C(C)(C)C1
InChIInChI=1S/C13H24N2O3S/c1-12(2,3)11(17)14-8-10(16)15-6-7-19(18)13(4,5)9-15/h6-9H2,1-5H3,(H,14,17)/t19-/m0/s1
InChIKeyFPFKQXYYBSFUDE-IBGZPJMESA-N
XLogP0.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-2-oxoethyl]-2,2-dimethylpropanamide (CID 96537717) is N-[2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(=O)N1CC[S@](=O)C(C)(C)C1.
What is the InChIKey of N-[2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is FPFKQXYYBSFUDE-IBGZPJMESA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-12(2,3)11(17)14-8-10(16)15-6-7-19(18)13(4,5)9-15/h6-9H2,1-5H3,(H,14,17)/t19-/m0/s1.
What are the key properties of N-[2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 288.41 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 96537717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).