(3-methylsulfonylphenyl)methanamine

C8H11NO2S — CID 2760937

IUPAC(3-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C8H11NO2S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3
InChIKeyDQFOSYRXEOWKOY-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.55
Rot. Bonds2

About (3-methylsulfonylphenyl)methanamine

(3-methylsulfonylphenyl)methanamine (PubChem CID 2760937) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is (3-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(3-methylsulfonylphenyl)methanamine
PubChem CID2760937
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name(3-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C8H11NO2S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3
InChIKeyDQFOSYRXEOWKOY-UHFFFAOYSA-N
XLogP0.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonylphenyl)methanamine?
The IUPAC name of (3-methylsulfonylphenyl)methanamine (CID 2760937) is (3-methylsulfonylphenyl)methanamine.
What is the SMILES notation for (3-methylsulfonylphenyl)methanamine?
The canonical SMILES for (3-methylsulfonylphenyl)methanamine is CS(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of (3-methylsulfonylphenyl)methanamine?
The InChIKey is DQFOSYRXEOWKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5H,6,9H2,1H3.
What are the key properties of (3-methylsulfonylphenyl)methanamine?
(3-methylsulfonylphenyl)methanamine has a molecular weight of 185.25 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 2760937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).