N-[1-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-methylamino]propan-2-yl]-2-fluoro-2-methylpropanamide

C14H26FN3O4S — CID 166370705

IUPACN-[1-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-methylamino]propan-2-yl]-2-fluoro-2-methylpropanamide
SMILESCC(CN(C)C(=O)CN1CCS(=O)(=O)CC1)NC(=O)C(C)(C)F
InChIInChI=1S/C14H26FN3O4S/c1-11(16-13(20)14(2,3)15)9-17(4)12(19)10-18-5-7-23(21,22)8-6-18/h11H,5-10H2,1-4H3,(H,16,20)
InChIKeyVGNUVOZZSLZLSE-UHFFFAOYSA-N
MW351.44 g/mol
LogP-0.57
Rot. Bonds6

About N-[1-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-methylamino]propan-2-yl]-2-fluoro-2-methylpropanamide

N-[1-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-methylamino]propan-2-yl]-2-fluoro-2-methylpropanamide (PubChem CID 166370705) has the molecular formula C14H26FN3O4S and a molecular weight of 351.44 g/mol. Its IUPAC name is N-[1-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-methylamino]propan-2-yl]-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-methylamino]propan-2-yl]-2-fluoro-2-methylpropanamide
PubChem CID166370705
Molecular FormulaC14H26FN3O4S
Molecular Weight351.44 g/mol
Exact Mass351.16
IUPAC NameN-[1-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-methylamino]propan-2-yl]-2-fluoro-2-methylpropanamide
SMILESCC(CN(C)C(=O)CN1CCS(=O)(=O)CC1)NC(=O)C(C)(C)F
InChIInChI=1S/C14H26FN3O4S/c1-11(16-13(20)14(2,3)15)9-17(4)12(19)10-18-5-7-23(21,22)8-6-18/h11H,5-10H2,1-4H3,(H,16,20)
InChIKeyVGNUVOZZSLZLSE-UHFFFAOYSA-N
XLogP-0.57
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-methylamino]propan-2-yl]-2-fluoro-2-methylpropanamide?
The IUPAC name of N-[1-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-methylamino]propan-2-yl]-2-fluoro-2-methylpropanamide (CID 166370705) is N-[1-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-methylamino]propan-2-yl]-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-[1-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-methylamino]propan-2-yl]-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-[1-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-methylamino]propan-2-yl]-2-fluoro-2-methylpropanamide is CC(CN(C)C(=O)CN1CCS(=O)(=O)CC1)NC(=O)C(C)(C)F.
What is the InChIKey of N-[1-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-methylamino]propan-2-yl]-2-fluoro-2-methylpropanamide?
The InChIKey is VGNUVOZZSLZLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN3O4S/c1-11(16-13(20)14(2,3)15)9-17(4)12(19)10-18-5-7-23(21,22)8-6-18/h11H,5-10H2,1-4H3,(H,16,20).
What are the key properties of N-[1-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-methylamino]propan-2-yl]-2-fluoro-2-methylpropanamide?
N-[1-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-methylamino]propan-2-yl]-2-fluoro-2-methylpropanamide has a molecular weight of 351.44 g/mol, XLogP of -0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)acetyl]-methylamino]propan-2-yl]-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 166370705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).