N-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide

C15H24N2O2S — CID 107767224

IUPACN-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide
SMILESCCC(C)CS(=O)CCC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-12(2)11-20(19)9-8-15(18)17-14-6-4-13(10-16)5-7-14/h4-7,12H,3,8-11,16H2,1-2H3,(H,17,18)
InChIKeyMZQLYQZSVBGIST-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.27
Rot. Bonds8

About N-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide

N-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide (PubChem CID 107767224) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide
PubChem CID107767224
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide
SMILESCCC(C)CS(=O)CCC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-12(2)11-20(19)9-8-15(18)17-14-6-4-13(10-16)5-7-14/h4-7,12H,3,8-11,16H2,1-2H3,(H,17,18)
InChIKeyMZQLYQZSVBGIST-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-fluorophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753784
N-(3-amino-4-chlorophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753767
N-[4-(aminomethyl)phenyl]-3-tert-butylsulfinylpropanamide
CID 81329230
N-[2-(aminomethyl)phenyl]-4-(2-methylbutylsulfinyl)butanamide
CID 107767323
N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477006
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273391
N-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753824
N-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide
CID 107767041
N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide
CID 64698213
N-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66277586
N-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide
CID 81329339

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide (CID 107767224) is N-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide is CCC(C)CS(=O)CCC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide?
The InChIKey is MZQLYQZSVBGIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-12(2)11-20(19)9-8-15(18)17-14-6-4-13(10-16)5-7-14/h4-7,12H,3,8-11,16H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide?
N-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide has a molecular weight of 296.44 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide is sourced from PubChem (CID 107767224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).