1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide

C15H20N2O2S2 — CID 80526318

IUPAC1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide
SMILESCC(C)(CNS(=O)(=O)Cc1cccc(N)c1)c1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-15(2,14-7-4-8-20-14)11-17-21(18,19)10-12-5-3-6-13(16)9-12/h3-9,17H,10-11,16H2,1-2H3
InChIKeyLRQZVELQXSHEGZ-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.73
Rot. Bonds6

About 1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide

1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide (PubChem CID 80526318) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide
PubChem CID80526318
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide
SMILESCC(C)(CNS(=O)(=O)Cc1cccc(N)c1)c1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-15(2,14-7-4-8-20-14)11-17-21(18,19)10-12-5-3-6-13(16)9-12/h3-9,17H,10-11,16H2,1-2H3
InChIKeyLRQZVELQXSHEGZ-UHFFFAOYSA-N
XLogP2.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80522231
1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide
CID 61111385
2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80526302
2-amino-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80526301
ethyl 2-[(3-aminophenyl)methylsulfonylamino]acetate
CID 60812498
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(3-methylphenyl)methanesulfonamide
CID 90497099
1-ethyl-2-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111581831
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 79477673
2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide
CID 106072628
2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide
CID 115992879
2-[(3-aminophenyl)methylsulfonylamino]acetamide
CID 43255729
1-(3-aminophenyl)-N-(2-methylsulfanylethyl)methanesulfonamide
CID 63983289

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide (CID 80526318) is 1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide is CC(C)(CNS(=O)(=O)Cc1cccc(N)c1)c1cccs1.
What is the InChIKey of 1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide?
The InChIKey is LRQZVELQXSHEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-15(2,14-7-4-8-20-14)11-17-21(18,19)10-12-5-3-6-13(16)9-12/h3-9,17H,10-11,16H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide?
1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide is sourced from PubChem (CID 80526318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).