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

C12H16FNO2S — CID 82132335

IUPAC2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1CCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2S/c13-12-5-3-11(4-6-12)7-9-14-8-1-2-10-17(14,15)16/h3-6H,1-2,7-10H2
InChIKeyDCECGZAJNZIGMX-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.79
Rot. Bonds3

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

2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide (PubChem CID 82132335) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide
PubChem CID82132335
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1CCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2S/c13-12-5-3-11(4-6-12)7-9-14-8-1-2-10-17(14,15)16/h3-6H,1-2,7-10H2
InChIKeyDCECGZAJNZIGMX-UHFFFAOYSA-N
XLogP1.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide
CID 82130195
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide
CID 110720894
2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 94697958
2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide
CID 166380566
2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide
CID 94698244
2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide
CID 110687739
2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 82134337
4-[(1,1-dioxothiazinan-2-yl)methyl]aniline
CID 83824828
2-[2-(2,4-dimethylphenyl)ethyl]thiazinane 1,1-dioxide
CID 82134039
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110720940
2-[2-(2-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 82132117
2-[(4-propan-2-ylphenyl)methyl]thiazinane 1,1-dioxide
CID 82134036

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide (CID 82132335) is 2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide is O=S1(=O)CCCCN1CCc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide?
The InChIKey is DCECGZAJNZIGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c13-12-5-3-11(4-6-12)7-9-14-8-1-2-10-17(14,15)16/h3-6H,1-2,7-10H2.
What are the key properties of 2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide?
2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide has a molecular weight of 257.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide is sourced from PubChem (CID 82132335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).