[5-(cyclopentylsulfinylmethyl)-2-fluorophenyl]methanamine

C13H18FNOS — CID 107881574

IUPAC[5-(cyclopentylsulfinylmethyl)-2-fluorophenyl]methanamine
SMILESNCc1cc(CS(=O)C2CCCC2)ccc1F
InChIInChI=1S/C13H18FNOS/c14-13-6-5-10(7-11(13)8-15)9-17(16)12-3-1-2-4-12/h5-7,12H,1-4,8-9,15H2
InChIKeyMZABKLVTZHDWTA-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.48
Rot. Bonds4

About [5-(cyclopentylsulfinylmethyl)-2-fluorophenyl]methanamine

[5-(cyclopentylsulfinylmethyl)-2-fluorophenyl]methanamine (PubChem CID 107881574) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is [5-(cyclopentylsulfinylmethyl)-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-(cyclopentylsulfinylmethyl)-2-fluorophenyl]methanamine
PubChem CID107881574
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name[5-(cyclopentylsulfinylmethyl)-2-fluorophenyl]methanamine
SMILESNCc1cc(CS(=O)C2CCCC2)ccc1F
InChIInChI=1S/C13H18FNOS/c14-13-6-5-10(7-11(13)8-15)9-17(16)12-3-1-2-4-12/h5-7,12H,1-4,8-9,15H2
InChIKeyMZABKLVTZHDWTA-UHFFFAOYSA-N
XLogP2.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-(cyclopentylsulfinylmethyl)-2-fluorophenyl]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

[3-(cyclopentylsulfinylmethyl)phenyl]methanamine
CID 81333401
4-(cyclopentylsulfinylmethyl)-2-fluorobenzoic acid
CID 106700649
[5-(cyclopentyloxymethyl)-2-fluorophenyl]methanamine
CID 107878875
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
methyl 4-(cyclohexylsulfinylmethyl)-2-fluorobenzoate
CID 106700631
5-chloro-2-(cyclopentylsulfinylmethyl)aniline
CID 63115581
2-(cyclopentylsulfinylmethyl)-4-fluoroaniline
CID 63115418
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine
CID 107878648
[2-fluoro-5-(3-methylbutylsulfinylmethyl)phenyl]methanamine
CID 114012326
2-[3-(aminomethyl)-4-fluorophenyl]ethanamine
CID 55255604
2-[4-(cyclohexylsulfinylmethyl)phenyl]acetic acid
CID 105346264
[2-fluoro-5-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine
CID 107881573

Frequently Asked Questions

What is the IUPAC name of [5-(cyclopentylsulfinylmethyl)-2-fluorophenyl]methanamine?
The IUPAC name of [5-(cyclopentylsulfinylmethyl)-2-fluorophenyl]methanamine (CID 107881574) is [5-(cyclopentylsulfinylmethyl)-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-(cyclopentylsulfinylmethyl)-2-fluorophenyl]methanamine?
The canonical SMILES for [5-(cyclopentylsulfinylmethyl)-2-fluorophenyl]methanamine is NCc1cc(CS(=O)C2CCCC2)ccc1F.
What is the InChIKey of [5-(cyclopentylsulfinylmethyl)-2-fluorophenyl]methanamine?
The InChIKey is MZABKLVTZHDWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c14-13-6-5-10(7-11(13)8-15)9-17(16)12-3-1-2-4-12/h5-7,12H,1-4,8-9,15H2.
What are the key properties of [5-(cyclopentylsulfinylmethyl)-2-fluorophenyl]methanamine?
[5-(cyclopentylsulfinylmethyl)-2-fluorophenyl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopentylsulfinylmethyl)-2-fluorophenyl]methanamine is sourced from PubChem (CID 107881574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).