N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide

C13H20N2O3S — CID 119983014

IUPACN-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)N(C)C(C)CN)c1
InChIInChI=1S/C13H20N2O3S/c1-4-13(16)11-6-5-7-12(8-11)19(17,18)15(3)10(2)9-14/h5-8,10H,4,9,14H2,1-3H3
InChIKeyFLTKVVFGUVCVGS-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.25
Rot. Bonds6

About N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide

N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide (PubChem CID 119983014) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide
PubChem CID119983014
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)N(C)C(C)CN)c1
InChIInChI=1S/C13H20N2O3S/c1-4-13(16)11-6-5-7-12(8-11)19(17,18)15(3)10(2)9-14/h5-8,10H,4,9,14H2,1-3H3
InChIKeyFLTKVVFGUVCVGS-UHFFFAOYSA-N
XLogP1.25
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide 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

N-methyl-3-propanoyl-N-(1-pyridin-4-ylpropyl)benzenesulfonamide
CID 71912542
N-ethyl-N-(1-methoxypropan-2-yl)-3-propanoylbenzenesulfonamide
CID 61254119
3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 43430441
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-propanoylbenzenesulfonamide
CID 79376544
3-propanoylbenzenesulfonic acid
CID 148597255
N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134023630
3-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 54876161
3-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]benzenecarbothioamide
CID 112659694
N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 119982559
N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide
CID 61252203
N-methoxy-3-propanoyl-N-propylbenzenesulfonamide
CID 114277159
N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119383832

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide (CID 119983014) is N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)N(C)C(C)CN)c1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide?
The InChIKey is FLTKVVFGUVCVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-13(16)11-6-5-7-12(8-11)19(17,18)15(3)10(2)9-14/h5-8,10H,4,9,14H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide?
N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 119983014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).