4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide

C16H24FNO3S — CID 86804279

IUPAC4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCOc1ccc(CCCN2CCS(=O)(=O)C(C)(C)C2)cc1F
InChIInChI=1S/C16H24FNO3S/c1-16(2)12-18(9-10-22(16,19)20)8-4-5-13-6-7-15(21-3)14(17)11-13/h6-7,11H,4-5,8-10,12H2,1-3H3
InChIKeyYFINUCGSWYHPEP-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.28
Rot. Bonds5

About 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide

4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide (PubChem CID 86804279) has the molecular formula C16H24FNO3S and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
PubChem CID86804279
Molecular FormulaC16H24FNO3S
Molecular Weight329.44 g/mol
Exact Mass329.15
IUPAC Name4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCOc1ccc(CCCN2CCS(=O)(=O)C(C)(C)C2)cc1F
InChIInChI=1S/C16H24FNO3S/c1-16(2)12-18(9-10-22(16,19)20)8-4-5-13-6-7-15(21-3)14(17)11-13/h6-7,11H,4-5,8-10,12H2,1-3H3
InChIKeyYFINUCGSWYHPEP-UHFFFAOYSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 94697958
N-[1-[3-(3-fluoro-4-methoxyphenyl)propyl]pyrrolidin-3-yl]methanesulfonamide
CID 91661909
[4-[3-(3-fluoro-4-methoxyphenyl)propyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 86804160
3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 43251327
3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylazetidin-3-ol
CID 83823334
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine
CID 71886708
1-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,4-diazepan-2-one
CID 82304426
4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine
CID 155593714
3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43251546
1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine
CID 95471785
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256889

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide (CID 86804279) is 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide is COc1ccc(CCCN2CCS(=O)(=O)C(C)(C)C2)cc1F.
What is the InChIKey of 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is YFINUCGSWYHPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3S/c1-16(2)12-18(9-10-22(16,19)20)8-4-5-13-6-7-15(21-3)14(17)11-13/h6-7,11H,4-5,8-10,12H2,1-3H3.
What are the key properties of 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 329.44 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-methoxyphenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 86804279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).