N-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide

C14H22N2O3S — CID 64696802

IUPACN-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide
SMILESCCCCS(=O)(=O)CCC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-3-9-20(18,19)10-8-14(17)16-13-6-4-12(11-15)5-7-13/h4-7H,2-3,8-11,15H2,1H3,(H,16,17)
InChIKeyKEZIYAGJLYGMGS-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.69
Rot. Bonds8

About N-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide

N-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide (PubChem CID 64696802) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide
PubChem CID64696802
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide
SMILESCCCCS(=O)(=O)CCC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-3-9-20(18,19)10-8-14(17)16-13-6-4-12(11-15)5-7-13/h4-7H,2-3,8-11,15H2,1H3,(H,16,17)
InChIKeyKEZIYAGJLYGMGS-UHFFFAOYSA-N
XLogP1.69
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide
CID 64698213
N-[3-(aminomethyl)phenyl]-4-propylsulfonylbutanamide
CID 64698230
N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide
CID 28996025
N-(4-butylphenyl)-3-methylsulfonylpropanamide
CID 127504583
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide
CID 43275032
4-amino-N-(4-pentylphenyl)butanamide
CID 61248586
ethyl N-[4-[4-(aminomethyl)anilino]-4-oxobutyl]carbamate
CID 163196881
N-(2-amino-5-chlorophenyl)-3-butylsulfonylpropanamide
CID 43615882
N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 2477289
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-(chloromethyl)phenyl]pentanamide
CID 86032460

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide (CID 64696802) is N-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide is CCCCS(=O)(=O)CCC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide?
The InChIKey is KEZIYAGJLYGMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-3-9-20(18,19)10-8-14(17)16-13-6-4-12(11-15)5-7-13/h4-7H,2-3,8-11,15H2,1H3,(H,16,17).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide?
N-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide has a molecular weight of 298.41 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide is sourced from PubChem (CID 64696802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).