N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide

C11H16N2OS — CID 63254387

IUPACN-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C11H16N2OS/c1-15-6-5-11(14)13-10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,8,12H2,1H3,(H,13,14)
InChIKeyXXIMALWIWLWOFM-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.84
Rot. Bonds5

About N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide

N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide (PubChem CID 63254387) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide
PubChem CID63254387
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C11H16N2OS/c1-15-6-5-11(14)13-10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,8,12H2,1H3,(H,13,14)
InChIKeyXXIMALWIWLWOFM-UHFFFAOYSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-methylsulfanylacetamide
CID 63254431
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
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N-[3-(aminomethyl)phenyl]pent-4-enamide
CID 63254423
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide
CID 62365496
N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374708
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
N-[3-(aminomethyl)phenyl]-4-propylsulfonylbutanamide
CID 64698230
N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
CID 55041403
N-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide
CID 107767041
N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
CID 16793720
N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide
CID 63684342

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide (CID 63254387) is N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide is CSCCC(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide?
The InChIKey is XXIMALWIWLWOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-15-6-5-11(14)13-10-4-2-3-9(7-10)8-12/h2-4,7H,5-6,8,12H2,1H3,(H,13,14).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide?
N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide has a molecular weight of 224.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 63254387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).