3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide

C13H20N2O3S — CID 81075821

IUPAC3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C13H20N2O3S/c1-3-10(9-14)7-13(16)15-11-5-4-6-12(8-11)19(2,17)18/h4-6,8,10H,3,7,9,14H2,1-2H3,(H,15,16)
InChIKeyYAZDAQJGNWAATM-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.40
Rot. Bonds6

About 3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide

3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide (PubChem CID 81075821) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide
PubChem CID81075821
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C13H20N2O3S/c1-3-10(9-14)7-13(16)15-11-5-4-6-12(8-11)19(2,17)18/h4-6,8,10H,3,7,9,14H2,1-2H3,(H,15,16)
InChIKeyYAZDAQJGNWAATM-UHFFFAOYSA-N
XLogP1.40
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methyl-N-(3-methylsulfonylphenyl)butanamide
CID 81075894
3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
CID 81087226
3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 81075870
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide
CID 81083957
3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide
CID 81075705
3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide
CID 81070870
2-ethyl-N-(3-methylsulfonylphenyl)butanamide
CID 47118406
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121
3-(aminomethyl)-N-pyridin-4-ylpentanamide
CID 81070382
3-(aminomethyl)-N-[3-chloro-4-(methanesulfonamido)phenyl]pentanamide
CID 81070770
3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide
CID 81070137

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide (CID 81075821) is 3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide is CCC(CN)CC(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide?
The InChIKey is YAZDAQJGNWAATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-10(9-14)7-13(16)15-11-5-4-6-12(8-11)19(2,17)18/h4-6,8,10H,3,7,9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide?
3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide has a molecular weight of 284.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide is sourced from PubChem (CID 81075821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).