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

C12H16FNS — CID 114834360

IUPAC2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane
SMILESCC1(Cc2cccc(F)c2)NCCCS1
InChIInChI=1S/C12H16FNS/c1-12(14-6-3-7-15-12)9-10-4-2-5-11(13)8-10/h2,4-5,8,14H,3,6-7,9H2,1H3
InChIKeyDSELYVMGDFFVSZ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.81
Rot. Bonds2

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

2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane (PubChem CID 114834360) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane
PubChem CID114834360
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane
SMILESCC1(Cc2cccc(F)c2)NCCCS1
InChIInChI=1S/C12H16FNS/c1-12(14-6-3-7-15-12)9-10-4-2-5-11(13)8-10/h2,4-5,8,14H,3,6-7,9H2,1H3
InChIKeyDSELYVMGDFFVSZ-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine
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4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine
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2-ethyl-2-[2-(3-fluorophenyl)ethyl]pyrrolidine
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1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
CID 84717270
3-chloro-3-[(3-fluorophenyl)methyl]thietane
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3,3-difluoro-2-(3-fluorophenyl)-2-methylpiperidine
CID 115037049
N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194315
(2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol
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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane (CID 114834360) is 2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane is CC1(Cc2cccc(F)c2)NCCCS1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane?
The InChIKey is DSELYVMGDFFVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c1-12(14-6-3-7-15-12)9-10-4-2-5-11(13)8-10/h2,4-5,8,14H,3,6-7,9H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane?
2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane has a molecular weight of 225.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane is sourced from PubChem (CID 114834360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).