[3-(2-methylsulfonylethyl)phenyl]methanamine

C10H15NO2S — CID 115028445

IUPAC[3-(2-methylsulfonylethyl)phenyl]methanamine
SMILESCS(=O)(=O)CCc1cccc(CN)c1
InChIInChI=1S/C10H15NO2S/c1-14(12,13)6-5-9-3-2-4-10(7-9)8-11/h2-4,7H,5-6,8,11H2,1H3
InChIKeyAJFWIHJJFGBTCS-UHFFFAOYSA-N
MW213.30 g/mol
LogP0.73
Rot. Bonds4

About [3-(2-methylsulfonylethyl)phenyl]methanamine

[3-(2-methylsulfonylethyl)phenyl]methanamine (PubChem CID 115028445) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is [3-(2-methylsulfonylethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-methylsulfonylethyl)phenyl]methanamine
PubChem CID115028445
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name[3-(2-methylsulfonylethyl)phenyl]methanamine
SMILESCS(=O)(=O)CCc1cccc(CN)c1
InChIInChI=1S/C10H15NO2S/c1-14(12,13)6-5-9-3-2-4-10(7-9)8-11/h2-4,7H,5-6,8,11H2,1H3
InChIKeyAJFWIHJJFGBTCS-UHFFFAOYSA-N
XLogP0.73
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
[3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine
CID 115044421
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
(3-propylsulfonylphenyl)methanamine
CID 83926717
[3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine
CID 115036313
3-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64631807
N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide
CID 63834740
acetic acid;(3-methylsulfonylphenyl)methanamine
CID 86081139
[3-(3-methylbutan-2-ylsulfonylmethyl)phenyl]methanamine
CID 107766927

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylsulfonylethyl)phenyl]methanamine?
The IUPAC name of [3-(2-methylsulfonylethyl)phenyl]methanamine (CID 115028445) is [3-(2-methylsulfonylethyl)phenyl]methanamine.
What is the SMILES notation for [3-(2-methylsulfonylethyl)phenyl]methanamine?
The canonical SMILES for [3-(2-methylsulfonylethyl)phenyl]methanamine is CS(=O)(=O)CCc1cccc(CN)c1.
What is the InChIKey of [3-(2-methylsulfonylethyl)phenyl]methanamine?
The InChIKey is AJFWIHJJFGBTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-14(12,13)6-5-9-3-2-4-10(7-9)8-11/h2-4,7H,5-6,8,11H2,1H3.
What are the key properties of [3-(2-methylsulfonylethyl)phenyl]methanamine?
[3-(2-methylsulfonylethyl)phenyl]methanamine has a molecular weight of 213.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylsulfonylethyl)phenyl]methanamine is sourced from PubChem (CID 115028445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).