3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide

C12H19N3O3S — CID 81070870

IUPAC3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-2-9(8-13)7-12(16)15-10-3-5-11(6-4-10)19(14,17)18/h3-6,9H,2,7-8,13H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyRBDKPHRRSWDKNS-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.65
Rot. Bonds6

About 3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide

3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide (PubChem CID 81070870) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide
PubChem CID81070870
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-2-9(8-13)7-12(16)15-10-3-5-11(6-4-10)19(14,17)18/h3-6,9H,2,7-8,13H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyRBDKPHRRSWDKNS-UHFFFAOYSA-N
XLogP0.65
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide
CID 81070137
3-(aminomethyl)-N-(4-fluorophenyl)pentanamide
CID 81071989
3-(aminomethyl)-N-(4-iodophenyl)pentanamide
CID 81070652
N-(4-acetylphenyl)-3-(aminomethyl)pentanamide
CID 81086671
3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide
CID 81070768
3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide
CID 81075821
3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide
CID 81079486
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide
CID 106911721
3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
CID 81087226
3-(aminomethyl)-N-[3-chloro-4-(methanesulfonamido)phenyl]pentanamide
CID 81070770
(2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide
CID 94883529

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide (CID 81070870) is 3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide is CCC(CN)CC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide?
The InChIKey is RBDKPHRRSWDKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-2-9(8-13)7-12(16)15-10-3-5-11(6-4-10)19(14,17)18/h3-6,9H,2,7-8,13H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide?
3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide has a molecular weight of 285.37 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide is sourced from PubChem (CID 81070870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).