2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide

C13H21N3O3S — CID 65225091

IUPAC2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide
SMILESCCCC(CN)C(=O)Nc1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C13H21N3O3S/c1-3-5-10(9-14)13(17)16-11-6-4-7-12(8-11)20(18,19)15-2/h4,6-8,10,15H,3,5,9,14H2,1-2H3,(H,16,17)
InChIKeyVMMIQSQUCBDACG-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.91
Rot. Bonds7

About 2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide

2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide (PubChem CID 65225091) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide
PubChem CID65225091
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide
SMILESCCCC(CN)C(=O)Nc1cccc(S(=O)(=O)NC)c1
InChIInChI=1S/C13H21N3O3S/c1-3-5-10(9-14)13(17)16-11-6-4-7-12(8-11)20(18,19)15-2/h4,6-8,10,15H,3,5,9,14H2,1-2H3,(H,16,17)
InChIKeyVMMIQSQUCBDACG-UHFFFAOYSA-N
XLogP0.91
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide
CID 60854034
2-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]pentanamide
CID 65225216
(2R)-2-amino-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 51885688
methyl N-[3-[2-(aminomethyl)pentanoylamino]phenyl]carbamate
CID 65229667
2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 107903680
2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
CID 119293956
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
CID 119465207
4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 103154603
2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 79797461
2-ethyl-N-(3-methylsulfonylphenyl)butanamide
CID 47118406
N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide
CID 61251053
2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide
CID 65224354

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide (CID 65225091) is 2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide is CCCC(CN)C(=O)Nc1cccc(S(=O)(=O)NC)c1.
What is the InChIKey of 2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide?
The InChIKey is VMMIQSQUCBDACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-5-10(9-14)13(17)16-11-6-4-7-12(8-11)20(18,19)15-2/h4,6-8,10,15H,3,5,9,14H2,1-2H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide?
2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide has a molecular weight of 299.40 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide is sourced from PubChem (CID 65225091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).