1-(4-aminophenyl)-N-propylmethanesulfonamide

C10H16N2O2S — CID 28546657

IUPAC1-(4-aminophenyl)-N-propylmethanesulfonamide
SMILESCCCNS(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C10H16N2O2S/c1-2-7-12-15(13,14)8-9-3-5-10(11)6-4-9/h3-6,12H,2,7-8,11H2,1H3
InChIKeyIVONHWDQSINFNF-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.10
Rot. Bonds5

About 1-(4-aminophenyl)-N-propylmethanesulfonamide

1-(4-aminophenyl)-N-propylmethanesulfonamide (PubChem CID 28546657) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-propylmethanesulfonamide
PubChem CID28546657
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-(4-aminophenyl)-N-propylmethanesulfonamide
SMILESCCCNS(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C10H16N2O2S/c1-2-7-12-15(13,14)8-9-3-5-10(11)6-4-9/h3-6,12H,2,7-8,11H2,1H3
InChIKeyIVONHWDQSINFNF-UHFFFAOYSA-N
XLogP1.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-aminophenyl)-N-propylmethanesulfonamide 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

1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide
CID 118327460
1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide
CID 115324575
1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 61107643
ethyl 4-[(4-aminophenyl)methylsulfonylamino]butanoate
CID 64575379
1-(4-aminophenyl)-N-(2-methylbutan-2-yl)methanesulfonamide
CID 29032685
1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide
CID 62314442
1-(4-aminophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]methanesulfonamide
CID 106413641
2-[(4-aminophenyl)methylsulfonyl]-N-propylacetamide
CID 82178541
1-[4-(aminomethyl)phenyl]-N-octylmethanesulfonamide
CID 115567343
1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide
CID 55100444
N-butyl-1-(4-chlorophenyl)methanesulfonamide
CID 18891362
1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride
CID 120716079

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-propylmethanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-propylmethanesulfonamide (CID 28546657) is 1-(4-aminophenyl)-N-propylmethanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-propylmethanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-propylmethanesulfonamide is CCCNS(=O)(=O)Cc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-propylmethanesulfonamide?
The InChIKey is IVONHWDQSINFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-7-12-15(13,14)8-9-3-5-10(11)6-4-9/h3-6,12H,2,7-8,11H2,1H3.
What are the key properties of 1-(4-aminophenyl)-N-propylmethanesulfonamide?
1-(4-aminophenyl)-N-propylmethanesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-propylmethanesulfonamide is sourced from PubChem (CID 28546657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).