2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide

C14H23N3O3S — CID 65226088

IUPAC2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H23N3O3S/c1-10(2)13(9-15)14(18)16-11-5-7-12(8-6-11)21(19,20)17(3)4/h5-8,10,13H,9,15H2,1-4H3,(H,16,18)
InChIKeyNWXRMFXGVVIOGI-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.11
Rot. Bonds6

About 2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide

2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide (PubChem CID 65226088) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide
PubChem CID65226088
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H23N3O3S/c1-10(2)13(9-15)14(18)16-11-5-7-12(8-6-11)21(19,20)17(3)4/h5-8,10,13H,9,15H2,1-4H3,(H,16,18)
InChIKeyNWXRMFXGVVIOGI-UHFFFAOYSA-N
XLogP1.11
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-[4-(ethylsulfamoyl)phenyl]-3-methylbutanamide
CID 65225218
3-amino-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 106111504
3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide
CID 81070137
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide
CID 6465200
(2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide
CID 107143973
2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide
CID 106345924
2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide
CID 115376625
(2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38908113
2-(azetidin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 116675266
(2S,3S)-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-2-phenylpentanamide
CID 25484071
1-[4-(dimethylsulfamoyl)phenyl]-3-(4-hydroxybutan-2-yl)urea
CID 146089010
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 4157932

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide (CID 65226088) is 2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide is CC(C)C(CN)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide?
The InChIKey is NWXRMFXGVVIOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10(2)13(9-15)14(18)16-11-5-7-12(8-6-11)21(19,20)17(3)4/h5-8,10,13H,9,15H2,1-4H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide?
2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide has a molecular weight of 313.42 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 65226088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).