3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol

C10H14FNO3S — CID 84803337

IUPAC3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol
SMILESCS(=O)(=O)c1ccc(C(O)CCN)c(F)c1
InChIInChI=1S/C10H14FNO3S/c1-16(14,15)7-2-3-8(9(11)6-7)10(13)4-5-12/h2-3,6,10,13H,4-5,12H2,1H3
InChIKeyAAYNDCPNHAXTKC-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.61
Rot. Bonds4

About 3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol

3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol (PubChem CID 84803337) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol
PubChem CID84803337
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol
SMILESCS(=O)(=O)c1ccc(C(O)CCN)c(F)c1
InChIInChI=1S/C10H14FNO3S/c1-16(14,15)7-2-3-8(9(11)6-7)10(13)4-5-12/h2-3,6,10,13H,4-5,12H2,1H3
InChIKeyAAYNDCPNHAXTKC-UHFFFAOYSA-N
XLogP0.61
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-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

1-(2,4-difluorophenyl)-2-(4-methylsulfonylphenoxy)ethanol
CID 109415459
1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol
CID 63192126
3-amino-2-[2,4-bis(methylsulfonyl)phenyl]propan-1-ol
CID 55161344
3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine
CID 84794355
1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol
CID 65095993
(1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
CID 97243469
3-(2-aminoethylamino)-1-(4-methylsulfonylphenyl)propan-1-ol
CID 69313503
2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
CID 117375876
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-3-methylsulfonylbenzenesulfonamide
CID 56578774
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
4-amino-4-(2-hydroxy-4-methylsulfonylphenyl)butanoic acid
CID 117435620

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol (CID 84803337) is 3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol is CS(=O)(=O)c1ccc(C(O)CCN)c(F)c1.
What is the InChIKey of 3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol?
The InChIKey is AAYNDCPNHAXTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-16(14,15)7-2-3-8(9(11)6-7)10(13)4-5-12/h2-3,6,10,13H,4-5,12H2,1H3.
What are the key properties of 3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol?
3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol has a molecular weight of 247.29 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol is sourced from PubChem (CID 84803337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).