2-[(3-fluorophenyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide

C12H16FNO2S — CID 82299961

IUPAC2-[(3-fluorophenyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1NCCS(=O)(=O)C1Cc1cccc(F)c1
InChIInChI=1S/C12H16FNO2S/c1-9-12(17(15,16)6-5-14-9)8-10-3-2-4-11(13)7-10/h2-4,7,9,12,14H,5-6,8H2,1H3
InChIKeyFZWSDNYTFYJXFQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.14
Rot. Bonds2

About 2-[(3-fluorophenyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide

2-[(3-fluorophenyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 82299961) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID82299961
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name2-[(3-fluorophenyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1NCCS(=O)(=O)C1Cc1cccc(F)c1
InChIInChI=1S/C12H16FNO2S/c1-9-12(17(15,16)6-5-14-9)8-10-3-2-4-11(13)7-10/h2-4,7,9,12,14H,5-6,8H2,1H3
InChIKeyFZWSDNYTFYJXFQ-UHFFFAOYSA-N
XLogP1.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine
CID 79385330
1-[(3-fluorophenyl)methylsulfonyl]-3-methylpiperazine
CID 119981962
3-[(3-fluorophenyl)methyl]piperazine-1-carbaldehyde
CID 142506745
1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride
CID 120571034
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
2-(3-fluorophenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride
CID 120573514
(3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one
CID 124592992
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
methyl 4-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 117270161
(2S,4S)-4-[(3-fluorophenyl)methyl]pyrrolidine-2-carbaldehyde
CID 88975713
[2-[(3-fluorophenyl)methyl]piperidin-4-yl] acetate
CID 174645078
(2S,4S)-N-[2-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618703

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide (CID 82299961) is 2-[(3-fluorophenyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide is CC1NCCS(=O)(=O)C1Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is FZWSDNYTFYJXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-9-12(17(15,16)6-5-14-9)8-10-3-2-4-11(13)7-10/h2-4,7,9,12,14H,5-6,8H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
2-[(3-fluorophenyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 257.33 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 82299961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).