2-[1-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide

C12H16FNO2S — CID 58476956

IUPAC2-[1-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide
SMILESCC(c1ccc(F)cc1)N1CCCCS1(=O)=O
InChIInChI=1S/C12H16FNO2S/c1-10(11-4-6-12(13)7-5-11)14-8-2-3-9-17(14,15)16/h4-7,10H,2-3,8-9H2,1H3
InChIKeyAYFRJHNBJVJCRW-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.31
Rot. Bonds2

About 2-[1-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide

2-[1-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide (PubChem CID 58476956) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide
PubChem CID58476956
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name2-[1-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide
SMILESCC(c1ccc(F)cc1)N1CCCCS1(=O)=O
InChIInChI=1S/C12H16FNO2S/c1-10(11-4-6-12(13)7-5-11)14-8-2-3-9-17(14,15)16/h4-7,10H,2-3,8-9H2,1H3
InChIKeyAYFRJHNBJVJCRW-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide?
The IUPAC name of 2-[1-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide (CID 58476956) is 2-[1-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide is CC(c1ccc(F)cc1)N1CCCCS1(=O)=O.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide?
The InChIKey is AYFRJHNBJVJCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-10(11-4-6-12(13)7-5-11)14-8-2-3-9-17(14,15)16/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide?
2-[1-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide has a molecular weight of 257.33 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide is sourced from PubChem (CID 58476956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).