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

C15H24N2O3S — CID 107767414

IUPACN-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide
SMILESCC(C)CCS(=O)(=O)C(C)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C15H24N2O3S/c1-11(2)8-9-21(19,20)12(3)15(18)17-14-6-4-13(10-16)5-7-14/h4-7,11-12H,8-10,16H2,1-3H3,(H,17,18)
InChIKeyALBZHSJHIOZVRV-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.93
Rot. Bonds7

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

N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide (PubChem CID 107767414) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide
PubChem CID107767414
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide
SMILESCC(C)CCS(=O)(=O)C(C)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C15H24N2O3S/c1-11(2)8-9-21(19,20)12(3)15(18)17-14-6-4-13(10-16)5-7-14/h4-7,11-12H,8-10,16H2,1-3H3,(H,17,18)
InChIKeyALBZHSJHIOZVRV-UHFFFAOYSA-N
XLogP1.93
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide
CID 107767176
N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)propanamide
CID 107767477
N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide
CID 63834583
N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425557
N-[3-(aminomethyl)phenyl]-2-pentylsulfonylpropanamide
CID 107766724
2-(3-aminopropylsulfonyl)-N-phenylpropanamide
CID 79015099
1-[4-(aminomethyl)phenyl]-3-(3-methylbutyl)urea
CID 43132978
N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide
CID 64698213
N-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide
CID 82181674
2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide
CID 82181671
N-[4-(aminomethyl)phenyl]-2-cyanopropanamide
CID 82506537
N-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide
CID 60725469

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide (CID 107767414) is N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide is CC(C)CCS(=O)(=O)C(C)C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide?
The InChIKey is ALBZHSJHIOZVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)8-9-21(19,20)12(3)15(18)17-14-6-4-13(10-16)5-7-14/h4-7,11-12H,8-10,16H2,1-3H3,(H,17,18).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide?
N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide has a molecular weight of 312.44 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide is sourced from PubChem (CID 107767414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).