[3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine

C9H12FNO2S — CID 64696823

IUPAC[3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine
SMILESCS(=O)(=O)Cc1ccc(CN)cc1F
InChIInChI=1S/C9H12FNO2S/c1-14(12,13)6-8-3-2-7(5-11)4-9(8)10/h2-4H,5-6,11H2,1H3
InChIKeyRPSLYDUHBRCOGM-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.83
Rot. Bonds3

About [3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine

[3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine (PubChem CID 64696823) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is [3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine
PubChem CID64696823
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC Name[3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine
SMILESCS(=O)(=O)Cc1ccc(CN)cc1F
InChIInChI=1S/C9H12FNO2S/c1-14(12,13)6-8-3-2-7(5-11)4-9(8)10/h2-4H,5-6,11H2,1H3
InChIKeyRPSLYDUHBRCOGM-UHFFFAOYSA-N
XLogP0.83
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine 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-(tert-butylsulfonylmethyl)-3-fluorophenyl]methanamine
CID 64696756
[3-fluoro-4-(2-methylsulfonylethylsulfanylmethyl)phenyl]methanamine
CID 63659581
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-methylsulfonylmethanesulfonamide
CID 82840107
[4-[(4-bromophenyl)sulfonylmethyl]-3-fluorophenyl]methanamine
CID 64696775
[3-fluoro-4-[(4-methylsulfonylpyrazol-1-yl)methyl]phenyl]methanamine
CID 165481482
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide
CID 63359101
[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 170915483
(4-ethylsulfonyl-3-fluorophenyl)methanamine;hydrochloride
CID 91647705
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine
CID 43270934
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 63359408
1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide
CID 67318256
1,5-difluoro-2-methyl-4-(methylsulfonylmethyl)benzene
CID 131983850

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine (CID 64696823) is [3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine is CS(=O)(=O)Cc1ccc(CN)cc1F.
What is the InChIKey of [3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine?
The InChIKey is RPSLYDUHBRCOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-14(12,13)6-8-3-2-7(5-11)4-9(8)10/h2-4H,5-6,11H2,1H3.
What are the key properties of [3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine?
[3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine has a molecular weight of 217.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine is sourced from PubChem (CID 64696823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).