N-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide

C15H24N2O2S — CID 107767041

IUPACN-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide
SMILESCC(C)C(C)S(=O)CCC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C15H24N2O2S/c1-11(2)12(3)20(19)8-7-15(18)17-14-6-4-5-13(9-14)10-16/h4-6,9,11-12H,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyVHQVKTPXBKPQLX-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.27
Rot. Bonds7

About N-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide

N-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide (PubChem CID 107767041) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide
PubChem CID107767041
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide
SMILESCC(C)C(C)S(=O)CCC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C15H24N2O2S/c1-11(2)12(3)20(19)8-7-15(18)17-14-6-4-5-13(9-14)10-16/h4-6,9,11-12H,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyVHQVKTPXBKPQLX-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide
CID 81329533
N-(3-amino-4-chlorophenyl)-3-(3-methylbutan-2-ylsulfinyl)propanamide
CID 107753655
N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide
CID 107767023
N-[3-(aminomethyl)phenyl]-3-cyclopentylsulfinylpropanamide
CID 81333278
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide
CID 63254387
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
N-[3-(aminomethyl)phenyl]-2-[methyl(3-methylbutan-2-yl)amino]acetamide
CID 43569718
N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265468
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
N-[3-(aminomethyl)phenyl]pent-4-enamide
CID 63254423

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide (CID 107767041) is N-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide is CC(C)C(C)S(=O)CCC(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide?
The InChIKey is VHQVKTPXBKPQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(2)12(3)20(19)8-7-15(18)17-14-6-4-5-13(9-14)10-16/h4-6,9,11-12H,7-8,10,16H2,1-3H3,(H,17,18).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide?
N-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide has a molecular weight of 296.44 g/mol, XLogP of 2.27, 7 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-(3-methylbutan-2-ylsulfinyl)propanamide is sourced from PubChem (CID 107767041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).