2-[4-fluoro-5-(methylsulfonimidoyl)thiophen-2-yl]propan-2-ol

C8H12FNO2S2 — CID 146618920

IUPAC2-[4-fluoro-5-(methylsulfonimidoyl)thiophen-2-yl]propan-2-ol
SMILES[H]N=S(C)(=O)c1sc(C(C)(C)O)cc1F
InChIInChI=1S/C8H12FNO2S2/c1-8(2,11)6-4-5(9)7(13-6)14(3,10)12/h4,10-11H,1-3H3
InChIKeyQTCNXBRSDWBZLJ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.15
Rot. Bonds2

About 2-[4-fluoro-5-(methylsulfonimidoyl)thiophen-2-yl]propan-2-ol

2-[4-fluoro-5-(methylsulfonimidoyl)thiophen-2-yl]propan-2-ol (PubChem CID 146618920) has the molecular formula C8H12FNO2S2 and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[4-fluoro-5-(methylsulfonimidoyl)thiophen-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-fluoro-5-(methylsulfonimidoyl)thiophen-2-yl]propan-2-ol
PubChem CID146618920
Molecular FormulaC8H12FNO2S2
Molecular Weight237.32 g/mol
Exact Mass237.03
IUPAC Name2-[4-fluoro-5-(methylsulfonimidoyl)thiophen-2-yl]propan-2-ol
SMILES[H]N=S(C)(=O)c1sc(C(C)(C)O)cc1F
InChIInChI=1S/C8H12FNO2S2/c1-8(2,11)6-4-5(9)7(13-6)14(3,10)12/h4,10-11H,1-3H3
InChIKeyQTCNXBRSDWBZLJ-UHFFFAOYSA-N
XLogP2.15
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-fluoro-5-(methylsulfonimidoyl)thiophen-2-yl]propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-5-(methylsulfonimidoyl)thiophen-2-yl]propan-2-ol?
The IUPAC name of 2-[4-fluoro-5-(methylsulfonimidoyl)thiophen-2-yl]propan-2-ol (CID 146618920) is 2-[4-fluoro-5-(methylsulfonimidoyl)thiophen-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-fluoro-5-(methylsulfonimidoyl)thiophen-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-fluoro-5-(methylsulfonimidoyl)thiophen-2-yl]propan-2-ol is [H]N=S(C)(=O)c1sc(C(C)(C)O)cc1F.
What is the InChIKey of 2-[4-fluoro-5-(methylsulfonimidoyl)thiophen-2-yl]propan-2-ol?
The InChIKey is QTCNXBRSDWBZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO2S2/c1-8(2,11)6-4-5(9)7(13-6)14(3,10)12/h4,10-11H,1-3H3.
What are the key properties of 2-[4-fluoro-5-(methylsulfonimidoyl)thiophen-2-yl]propan-2-ol?
2-[4-fluoro-5-(methylsulfonimidoyl)thiophen-2-yl]propan-2-ol has a molecular weight of 237.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-5-(methylsulfonimidoyl)thiophen-2-yl]propan-2-ol is sourced from PubChem (CID 146618920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).