N-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide

C15H24N2O2S — CID 81329533

IUPACN-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide
SMILESCCC(C)S(=O)CCCC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C15H24N2O2S/c1-3-12(2)20(19)9-5-8-15(18)17-14-7-4-6-13(10-14)11-16/h4,6-7,10,12H,3,5,8-9,11,16H2,1-2H3,(H,17,18)
InChIKeyHEPVGYZQCVHHID-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.41
Rot. Bonds8

About N-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide

N-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide (PubChem CID 81329533) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide
PubChem CID81329533
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide
SMILESCCC(C)S(=O)CCCC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C15H24N2O2S/c1-3-12(2)20(19)9-5-8-15(18)17-14-7-4-6-13(10-14)11-16/h4,6-7,10,12H,3,5,8-9,11,16H2,1-2H3,(H,17,18)
InChIKeyHEPVGYZQCVHHID-UHFFFAOYSA-N
XLogP2.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide
CID 107767041
N-[3-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide
CID 81328323
N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265468
N-[3-(aminomethyl)phenyl]-4-cyclopentylsulfinylbutanamide
CID 81333991
N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide
CID 63684342
N-[3-(aminomethyl)phenyl]-4-propylsulfonylbutanamide
CID 64698230
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide
CID 43274235
N-[3-(aminomethyl)phenyl]pent-4-enamide
CID 63254423
N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide
CID 63254387
N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
CID 16793720
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide (CID 81329533) is N-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide is CCC(C)S(=O)CCCC(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide?
The InChIKey is HEPVGYZQCVHHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-12(2)20(19)9-5-8-15(18)17-14-7-4-6-13(10-14)11-16/h4,6-7,10,12H,3,5,8-9,11,16H2,1-2H3,(H,17,18).
What are the key properties of N-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide?
N-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide has a molecular weight of 296.44 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-4-butan-2-ylsulfinylbutanamide is sourced from PubChem (CID 81329533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).