4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol

C11H14FNO3S — CID 60665713

IUPAC4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCc2ccc(F)cc2)C1
InChIInChI=1S/C11H14FNO3S/c12-9-3-1-8(2-4-9)5-13-10-6-17(15,16)7-11(10)14/h1-4,10-11,13-14H,5-7H2
InChIKeyFKGWXGKOWQWFGE-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.07
Rot. Bonds3

About 4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol

4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol (PubChem CID 60665713) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol
PubChem CID60665713
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCc2ccc(F)cc2)C1
InChIInChI=1S/C11H14FNO3S/c12-9-3-1-8(2-4-9)5-13-10-6-17(15,16)7-11(10)14/h1-4,10-11,13-14H,5-7H2
InChIKeyFKGWXGKOWQWFGE-UHFFFAOYSA-N
XLogP0.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 114331750
(3S,4S)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 51890029
(3R,4R)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 51890027
4-(1,2-oxazol-5-ylmethylamino)-1,1-dioxothiolan-3-ol
CID 106418044
4-[(3,4-dimethoxyphenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 60665905
(3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol
CID 93384215
3-[(4-fluorophenyl)methylsulfanyl]-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]propanamide
CID 90648070
4-[(2-ethylphenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 64681377
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068
N-[(4-fluorophenyl)methyl]-1,1-dioxothian-3-amine
CID 63910450
(3S,4S)-4-[(3-ethylsulfanylphenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 167925671
4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-ol;hydrochloride
CID 18558678

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol (CID 60665713) is 4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(NCc2ccc(F)cc2)C1.
What is the InChIKey of 4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol?
The InChIKey is FKGWXGKOWQWFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c12-9-3-1-8(2-4-9)5-13-10-6-17(15,16)7-11(10)14/h1-4,10-11,13-14H,5-7H2.
What are the key properties of 4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol?
4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol has a molecular weight of 259.30 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 60665713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).