N-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide

C14H22N2O2S — CID 107767444

IUPACN-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide
SMILESCC(C)CCS(=O)CC(=O)Nc1ccccc1CN
InChIInChI=1S/C14H22N2O2S/c1-11(2)7-8-19(18)10-14(17)16-13-6-4-3-5-12(13)9-15/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyJJJSORJMWSKMAM-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.88
Rot. Bonds7

About N-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide

N-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide (PubChem CID 107767444) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide
PubChem CID107767444
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide
SMILESCC(C)CCS(=O)CC(=O)Nc1ccccc1CN
InChIInChI=1S/C14H22N2O2S/c1-11(2)7-8-19(18)10-14(17)16-13-6-4-3-5-12(13)9-15/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyJJJSORJMWSKMAM-UHFFFAOYSA-N
XLogP1.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide
CID 107767023
N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
CID 107753902
N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
CID 107753895
N-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide
CID 81328761
N-[2-(aminomethyl)phenyl]-4-(2-methylbutylsulfinyl)butanamide
CID 107767323
N-[2-(aminomethyl)phenyl]-3-pentylsulfinylpropanamide
CID 107766804
N-[2-(aminomethyl)phenyl]-2-[ethyl(methyl)amino]acetamide
CID 43263109
N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide
CID 114212815
N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide
CID 81328530
N-[2-(aminomethyl)phenyl]-3-(3-methoxypropylsulfinyl)propanamide
CID 81332822
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide
CID 43571770
N-[2-(aminomethyl)phenyl]-4-(2-methylpropylsulfonyl)butanamide
CID 64698214

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide (CID 107767444) is N-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide is CC(C)CCS(=O)CC(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide?
The InChIKey is JJJSORJMWSKMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(2)7-8-19(18)10-14(17)16-13-6-4-3-5-12(13)9-15/h3-6,11H,7-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide?
N-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide is sourced from PubChem (CID 107767444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).