[2-(tert-butylsulfonylmethyl)phenyl]methanamine

C12H19NO2S — CID 64697384

IUPAC[2-(tert-butylsulfonylmethyl)phenyl]methanamine
SMILESCC(C)(C)S(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C12H19NO2S/c1-12(2,3)16(14,15)9-11-7-5-4-6-10(11)8-13/h4-7H,8-9,13H2,1-3H3
InChIKeyGMJDAJIOWODRPS-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.86
Rot. Bonds3

About [2-(tert-butylsulfonylmethyl)phenyl]methanamine

[2-(tert-butylsulfonylmethyl)phenyl]methanamine (PubChem CID 64697384) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is [2-(tert-butylsulfonylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(tert-butylsulfonylmethyl)phenyl]methanamine
PubChem CID64697384
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name[2-(tert-butylsulfonylmethyl)phenyl]methanamine
SMILESCC(C)(C)S(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C12H19NO2S/c1-12(2,3)16(14,15)9-11-7-5-4-6-10(11)8-13/h4-7H,8-9,13H2,1-3H3
InChIKeyGMJDAJIOWODRPS-UHFFFAOYSA-N
XLogP1.86
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methylsulfonylmethyl)phenyl]methanamine
CID 64697035
3-(tert-butylsulfonylmethyl)-2-methylaniline
CID 43509140
[4-(tert-butylsulfonylmethyl)-3-fluorophenyl]methanamine
CID 64696756
1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide
CID 65038831
[2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine
CID 64698409
[3-(tert-butylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64645567
[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine
CID 106722438
2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide
CID 106335853
1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
CID 54879483
[2-(cyclopentylsulfonylmethyl)phenyl]methanamine
CID 64696628
[2-(2-fluoro-2-methylpropyl)phenyl]methanamine
CID 84658124
N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide
CID 62949532

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylsulfonylmethyl)phenyl]methanamine?
The IUPAC name of [2-(tert-butylsulfonylmethyl)phenyl]methanamine (CID 64697384) is [2-(tert-butylsulfonylmethyl)phenyl]methanamine.
What is the SMILES notation for [2-(tert-butylsulfonylmethyl)phenyl]methanamine?
The canonical SMILES for [2-(tert-butylsulfonylmethyl)phenyl]methanamine is CC(C)(C)S(=O)(=O)Cc1ccccc1CN.
What is the InChIKey of [2-(tert-butylsulfonylmethyl)phenyl]methanamine?
The InChIKey is GMJDAJIOWODRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-12(2,3)16(14,15)9-11-7-5-4-6-10(11)8-13/h4-7H,8-9,13H2,1-3H3.
What are the key properties of [2-(tert-butylsulfonylmethyl)phenyl]methanamine?
[2-(tert-butylsulfonylmethyl)phenyl]methanamine has a molecular weight of 241.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylsulfonylmethyl)phenyl]methanamine is sourced from PubChem (CID 64697384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).