2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-fluorophenyl)methyl]acetamide

C13H17FN2O3S — CID 47205472

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCS(=O)(=O)CC1)NCc1ccccc1F
InChIInChI=1S/C13H17FN2O3S/c14-12-4-2-1-3-11(12)9-15-13(17)10-16-5-7-20(18,19)8-6-16/h1-4H,5-10H2,(H,15,17)
InChIKeyYJYWYUAGOSXQEP-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.17
Rot. Bonds4

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-fluorophenyl)methyl]acetamide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 47205472) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID47205472
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCS(=O)(=O)CC1)NCc1ccccc1F
InChIInChI=1S/C13H17FN2O3S/c14-12-4-2-1-3-11(12)9-15-13(17)10-16-5-7-20(18,19)8-6-16/h1-4H,5-10H2,(H,15,17)
InChIKeyYJYWYUAGOSXQEP-UHFFFAOYSA-N
XLogP0.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-fluorophenyl)methyl]acetamide (CID 47205472) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-fluorophenyl)methyl]acetamide is O=C(CN1CCS(=O)(=O)CC1)NCc1ccccc1F.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is YJYWYUAGOSXQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c14-12-4-2-1-3-11(12)9-15-13(17)10-16-5-7-20(18,19)8-6-16/h1-4H,5-10H2,(H,15,17).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-fluorophenyl)methyl]acetamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 300.35 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 47205472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).