2-(3-fluorophenyl)thiazinane 1,1-dioxide

C10H12FNO2S — CID 82081520

IUPAC2-(3-fluorophenyl)thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1c1cccc(F)c1
InChIInChI=1S/C10H12FNO2S/c11-9-4-3-5-10(8-9)12-6-1-2-7-15(12,13)14/h3-5,8H,1-2,6-7H2
InChIKeyOEPHAZHGQYVRMN-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.76
Rot. Bonds1

About 2-(3-fluorophenyl)thiazinane 1,1-dioxide

2-(3-fluorophenyl)thiazinane 1,1-dioxide (PubChem CID 82081520) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(3-fluorophenyl)thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(3-fluorophenyl)thiazinane 1,1-dioxide
PubChem CID82081520
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name2-(3-fluorophenyl)thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1c1cccc(F)c1
InChIInChI=1S/C10H12FNO2S/c11-9-4-3-5-10(8-9)12-6-1-2-7-15(12,13)14/h3-5,8H,1-2,6-7H2
InChIKeyOEPHAZHGQYVRMN-UHFFFAOYSA-N
XLogP1.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluorophenyl)thiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1,1-dioxothiazinan-2-yl)phenyl]hydrazine
CID 82084710
3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
CID 7686047
ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
CID 166090798
4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide
CID 118463237
[3-(1,1-dioxothiazinan-2-yl)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 7499097
3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)sulfonylbenzamide
CID 110166635
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(3-fluorophenyl)propanamide
CID 110621350
carbon dioxide;4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide
CID 158440505
N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686052
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]prop-2-enamide
CID 166415169
2-(2-fluorophenyl)thiazinane 1,1-dioxide
CID 82081518

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)thiazinane 1,1-dioxide?
The IUPAC name of 2-(3-fluorophenyl)thiazinane 1,1-dioxide (CID 82081520) is 2-(3-fluorophenyl)thiazinane 1,1-dioxide.
What is the SMILES notation for 2-(3-fluorophenyl)thiazinane 1,1-dioxide?
The canonical SMILES for 2-(3-fluorophenyl)thiazinane 1,1-dioxide is O=S1(=O)CCCCN1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)thiazinane 1,1-dioxide?
The InChIKey is OEPHAZHGQYVRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c11-9-4-3-5-10(8-9)12-6-1-2-7-15(12,13)14/h3-5,8H,1-2,6-7H2.
What are the key properties of 2-(3-fluorophenyl)thiazinane 1,1-dioxide?
2-(3-fluorophenyl)thiazinane 1,1-dioxide has a molecular weight of 229.28 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)thiazinane 1,1-dioxide is sourced from PubChem (CID 82081520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).