(R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine

C12H17NO2S — CID 96674488

IUPAC(R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1ccc([C@H](N)C2CCC2)cc1
InChIInChI=1S/C12H17NO2S/c1-16(14,15)11-7-5-10(6-8-11)12(13)9-3-2-4-9/h5-9,12H,2-4,13H2,1H3/t12-/m1/s1
InChIKeyBPLIIIQCMROHRL-GFCCVEGCSA-N
MW239.34 g/mol
LogP1.89
Rot. Bonds3

About (R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine

(R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine (PubChem CID 96674488) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is (R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine
PubChem CID96674488
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name(R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1ccc([C@H](N)C2CCC2)cc1
InChIInChI=1S/C12H17NO2S/c1-16(14,15)11-7-5-10(6-8-11)12(13)9-3-2-4-9/h5-9,12H,2-4,13H2,1H3/t12-/m1/s1
InChIKeyBPLIIIQCMROHRL-GFCCVEGCSA-N
XLogP1.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (R)-cyclobutyl-(4-methylsulfonylphenyl)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-[amino-(4-methylsulfonylphenyl)methyl]cyclobutan-1-amine
CID 116937380
cyclopentyl-(4-methylsulfonylphenyl)methanol
CID 115840633
cyclopropyl-(4-ethylsulfonylphenyl)methanamine
CID 71015786
1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 105027698
4-[(S)-amino(cyclobutyl)methyl]phenol
CID 130741168
4-[(R)-amino(cyclobutyl)methyl]phenol
CID 130780811
(S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride
CID 171230830
N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine
CID 50982811
amino-(4-methylsulfonylphenyl)methanol
CID 116939660
2-(cyclobutylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 62414957
1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine
CID 63595825
N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine
CID 43177189

Frequently Asked Questions

What is the IUPAC name of (R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine?
The IUPAC name of (R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine (CID 96674488) is (R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine.
What is the SMILES notation for (R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine?
The canonical SMILES for (R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine is CS(=O)(=O)c1ccc([C@H](N)C2CCC2)cc1.
What is the InChIKey of (R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine?
The InChIKey is BPLIIIQCMROHRL-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-16(14,15)11-7-5-10(6-8-11)12(13)9-3-2-4-9/h5-9,12H,2-4,13H2,1H3/t12-/m1/s1.
What are the key properties of (R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine?
(R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine has a molecular weight of 239.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 96674488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).