[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-fluorophenyl]methanamine

C11H15FN2O2S — CID 107878764

IUPAC[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-fluorophenyl]methanamine
SMILESNCc1cc(CN2CCCS2(=O)=O)ccc1F
InChIInChI=1S/C11H15FN2O2S/c12-11-3-2-9(6-10(11)7-13)8-14-4-1-5-17(14,15)16/h2-3,6H,1,4-5,7-8,13H2
InChIKeyNFOMAJJECNIQEA-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.82
Rot. Bonds3

About [5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-fluorophenyl]methanamine

[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-fluorophenyl]methanamine (PubChem CID 107878764) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is [5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-fluorophenyl]methanamine
PubChem CID107878764
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-fluorophenyl]methanamine
SMILESNCc1cc(CN2CCCS2(=O)=O)ccc1F
InChIInChI=1S/C11H15FN2O2S/c12-11-3-2-9(6-10(11)7-13)8-14-4-1-5-17(14,15)16/h2-3,6H,1,4-5,7-8,13H2
InChIKeyNFOMAJJECNIQEA-UHFFFAOYSA-N
XLogP0.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide
CID 82130195
[2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]methanamine
CID 43619971
3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-fluorobenzenecarbothioamide
CID 43620070
4-[(1,1-dioxothiazinan-2-yl)methyl]aniline
CID 83824828
1-[[3-(aminomethyl)-4-fluorophenyl]methyl]azepan-2-one
CID 114012007
[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 107878107
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107878335
2-[3-(aminomethyl)-4-fluorophenyl]ethanamine
CID 55255604
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]methanamine
CID 18071220
[5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107878208
[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine
CID 107878026

Frequently Asked Questions

What is the IUPAC name of [5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-fluorophenyl]methanamine?
The IUPAC name of [5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-fluorophenyl]methanamine (CID 107878764) is [5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-fluorophenyl]methanamine is NCc1cc(CN2CCCS2(=O)=O)ccc1F.
What is the InChIKey of [5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-fluorophenyl]methanamine?
The InChIKey is NFOMAJJECNIQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c12-11-3-2-9(6-10(11)7-13)8-14-4-1-5-17(14,15)16/h2-3,6H,1,4-5,7-8,13H2.
What are the key properties of [5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-fluorophenyl]methanamine?
[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-fluorophenyl]methanamine has a molecular weight of 258.32 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107878764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).