2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide

C14H23N3O3S — CID 106919288

IUPAC2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1ccc(CN)c(C)c1
InChIInChI=1S/C14H23N3O3S/c1-3-4-7-17(10-14(16)18)21(19,20)13-6-5-12(9-15)11(2)8-13/h5-6,8H,3-4,7,9-10,15H2,1-2H3,(H2,16,18)
InChIKeyLONDSGAEAZBGFF-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.73
Rot. Bonds8

About 2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide

2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide (PubChem CID 106919288) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide
PubChem CID106919288
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1ccc(CN)c(C)c1
InChIInChI=1S/C14H23N3O3S/c1-3-4-7-17(10-14(16)18)21(19,20)13-6-5-12(9-15)11(2)8-13/h5-6,8H,3-4,7,9-10,15H2,1-2H3,(H2,16,18)
InChIKeyLONDSGAEAZBGFF-UHFFFAOYSA-N
XLogP0.73
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 106919187
2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
CID 47204425
2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide
CID 55702921
4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 106919184
2-[(3-amino-5-methylphenyl)sulfonyl-butylamino]acetamide
CID 61107191
methyl 4-[(2-amino-2-oxoethyl)-butylsulfamoyl]benzoate
CID 55702922
4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide
CID 106919113
2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 47064825
3-(aminomethyl)-N-butyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63288066
2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide
CID 61106635
2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide
CID 80711575
4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide
CID 60707695

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide?
The IUPAC name of 2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide (CID 106919288) is 2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide?
The canonical SMILES for 2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide is CCCCN(CC(N)=O)S(=O)(=O)c1ccc(CN)c(C)c1.
What is the InChIKey of 2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide?
The InChIKey is LONDSGAEAZBGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-4-7-17(10-14(16)18)21(19,20)13-6-5-12(9-15)11(2)8-13/h5-6,8H,3-4,7,9-10,15H2,1-2H3,(H2,16,18).
What are the key properties of 2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide?
2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide has a molecular weight of 313.42 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide is sourced from PubChem (CID 106919288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).