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

C11H14FNO3S — CID 51890029

IUPAC(3S,4S)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)C[C@@H](O)[C@H](NCc2cccc(F)c2)C1
InChIInChI=1S/C11H14FNO3S/c12-9-3-1-2-8(4-9)5-13-10-6-17(15,16)7-11(10)14/h1-4,10-11,13-14H,5-7H2/t10-,11-/m1/s1
InChIKeyVXFKOMXQJQZCMW-GHMZBOCLSA-N
MW259.30 g/mol
LogP0.07
Rot. Bonds3

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

(3S,4S)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol (PubChem CID 51890029) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is (3S,4S)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol
PubChem CID51890029
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name(3S,4S)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)C[C@@H](O)[C@H](NCc2cccc(F)c2)C1
InChIInChI=1S/C11H14FNO3S/c12-9-3-1-2-8(4-9)5-13-10-6-17(15,16)7-11(10)14/h1-4,10-11,13-14H,5-7H2/t10-,11-/m1/s1
InChIKeyVXFKOMXQJQZCMW-GHMZBOCLSA-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 (3S,4S)-4-[(3-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

(3R,4R)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 51890027
4-[(4-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 60665713
(3S,4S)-4-[(3-ethylsulfanylphenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 167925671
4-[(4-hydroxyphenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 114331750
4-[(3,4-dimethoxyphenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 60665905
(3R,4R)-4-[(3-fluorophenyl)methyl-methylamino]-1,1-dioxothiolan-3-ol
CID 129365565
4-(1,2-oxazol-5-ylmethylamino)-1,1-dioxothiolan-3-ol
CID 106418044
(3S,4S)-4-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]-1,1-dioxothiolan-3-ol
CID 39794150
4-[(2-ethylphenyl)methylamino]-1,1-dioxothiolan-3-ol
CID 64681377
(3S,4S)-4-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methylamino]-1,1-dioxothiolan-3-ol
CID 39752348
cis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide
CID 99586249
2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide
CID 86790349

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol?
The IUPAC name of (3S,4S)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol (CID 51890029) is (3S,4S)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3S,4S)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3S,4S)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol is O=S1(=O)C[C@@H](O)[C@H](NCc2cccc(F)c2)C1.
What is the InChIKey of (3S,4S)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol?
The InChIKey is VXFKOMXQJQZCMW-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H14FNO3S/c12-9-3-1-2-8(4-9)5-13-10-6-17(15,16)7-11(10)14/h1-4,10-11,13-14H,5-7H2/t10-,11-/m1/s1.
What are the key properties of (3S,4S)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol?
(3S,4S)-4-[(3-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 (3S,4S)-4-[(3-fluorophenyl)methylamino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 51890029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).