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

C10H12FNO2S — CID 82081518

IUPAC2-(2-fluorophenyl)thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1c1ccccc1F
InChIInChI=1S/C10H12FNO2S/c11-9-5-1-2-6-10(9)12-7-3-4-8-15(12,13)14/h1-2,5-6H,3-4,7-8H2
InChIKeyWQFKECWYZKVKMO-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.76
Rot. Bonds1

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

2-(2-fluorophenyl)thiazinane 1,1-dioxide (PubChem CID 82081518) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(2-fluorophenyl)thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(2-fluorophenyl)thiazinane 1,1-dioxide
PubChem CID82081518
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name2-(2-fluorophenyl)thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1c1ccccc1F
InChIInChI=1S/C10H12FNO2S/c11-9-5-1-2-6-10(9)12-7-3-4-8-15(12,13)14/h1-2,5-6H,3-4,7-8H2
InChIKeyWQFKECWYZKVKMO-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

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Related Compounds

2-(2-fluorophenyl)-1,2-thiazolidine 1,1-dioxide
CID 71683758
4-(1,1-dioxothiazinan-2-yl)-3-fluorobenzoic acid
CID 116814448
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-fluorobenzenecarbothioamide
CID 43581061
1-[2-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine
CID 116814541
2-(1,1-dioxothiazinan-2-yl)-4,5-difluorobenzoic acid
CID 116814440
2-(3-fluorophenyl)thiazinane 1,1-dioxide
CID 82081520
2-(2-fluorophenyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 117003000
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol
CID 104549320
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-fluorobenzenesulfonamide
CID 7483111
4-(1,1-dioxothiazinan-2-yl)-N-[(2-fluorophenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 39776073
2-(2-bromo-4-fluorophenyl)-1,2-thiazolidine 1,1-dioxide
CID 28939241
2-[2-bromo-5-(trifluoromethyl)phenyl]thiazinane 1,1-dioxide
CID 114043039

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)thiazinane 1,1-dioxide?
The IUPAC name of 2-(2-fluorophenyl)thiazinane 1,1-dioxide (CID 82081518) is 2-(2-fluorophenyl)thiazinane 1,1-dioxide.
What is the SMILES notation for 2-(2-fluorophenyl)thiazinane 1,1-dioxide?
The canonical SMILES for 2-(2-fluorophenyl)thiazinane 1,1-dioxide is O=S1(=O)CCCCN1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)thiazinane 1,1-dioxide?
The InChIKey is WQFKECWYZKVKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c11-9-5-1-2-6-10(9)12-7-3-4-8-15(12,13)14/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 2-(2-fluorophenyl)thiazinane 1,1-dioxide?
2-(2-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-(2-fluorophenyl)thiazinane 1,1-dioxide is sourced from PubChem (CID 82081518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).