2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide

C12H19N3O3S — CID 65230250

IUPAC2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide
SMILESCCC(CN)C(=O)Nc1cccc(S(N)(=O)=O)c1C
InChIInChI=1S/C12H19N3O3S/c1-3-9(7-13)12(16)15-10-5-4-6-11(8(10)2)19(14,17)18/h4-6,9H,3,7,13H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyCCRLRTGXHXIKCX-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.57
Rot. Bonds5

About 2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide

2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide (PubChem CID 65230250) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide
PubChem CID65230250
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide
SMILESCCC(CN)C(=O)Nc1cccc(S(N)(=O)=O)c1C
InChIInChI=1S/C12H19N3O3S/c1-3-9(7-13)12(16)15-10-5-4-6-11(8(10)2)19(14,17)18/h4-6,9H,3,7,13H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyCCRLRTGXHXIKCX-UHFFFAOYSA-N
XLogP0.57
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide
CID 61164806
2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
CID 65229652
2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 79196365
N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 54863561
1-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 115452709
5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide
CID 112517469
2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide
CID 107599748
2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid
CID 91215602
2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide
CID 107470943
ethyl 4-(2-methyl-3-sulfamoylanilino)-4-oxobutanoate
CID 61362191
3-(2-ethylbutanoylamino)-2-methylbenzoic acid
CID 6458658
tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
CID 65142606

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide (CID 65230250) is 2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide is CCC(CN)C(=O)Nc1cccc(S(N)(=O)=O)c1C.
What is the InChIKey of 2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide?
The InChIKey is CCRLRTGXHXIKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-9(7-13)12(16)15-10-5-4-6-11(8(10)2)19(14,17)18/h4-6,9H,3,7,13H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide?
2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide has a molecular weight of 285.37 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide is sourced from PubChem (CID 65230250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).