2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide

C12H15FN2O3S — CID 110687739

IUPAC2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCCCS1(=O)=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O3S/c13-10-3-5-11(6-4-10)14-12(16)9-15-7-1-2-8-19(15,17)18/h3-6H,1-2,7-9H2,(H,14,16)
InChIKeyHKCISVHSMDLGFV-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.19
Rot. Bonds3

About 2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide

2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 110687739) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide
PubChem CID110687739
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCCCS1(=O)=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O3S/c13-10-3-5-11(6-4-10)14-12(16)9-15-7-1-2-8-19(15,17)18/h3-6H,1-2,7-9H2,(H,14,16)
InChIKeyHKCISVHSMDLGFV-UHFFFAOYSA-N
XLogP1.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687775
N-(4-fluorophenyl)-2-[6-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 46279725
2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]amino]-2-fluorophenyl]acetic acid
CID 122109803
N-(3-acetylphenyl)-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687768
2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide
CID 110687779
3-(1,1-dioxothiazinan-2-yl)-N-phenylpropanamide
CID 110687886
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 87019085
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 87046483
2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide
CID 82130195
N-(4-cyanophenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687959
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide
CID 110720894
2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide
CID 82132335

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide (CID 110687739) is 2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide is O=C(CN1CCCCS1(=O)=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is HKCISVHSMDLGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c13-10-3-5-11(6-4-10)14-12(16)9-15-7-1-2-8-19(15,17)18/h3-6H,1-2,7-9H2,(H,14,16).
What are the key properties of 2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide?
2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 286.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 110687739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).