1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide

C15H20N2O2S2 — CID 79471332

IUPAC1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide
SMILESCC(Cc1cccs1)N(C)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C15H20N2O2S2/c1-12(10-14-7-5-9-20-14)17(2)21(18,19)11-13-6-3-4-8-15(13)16/h3-9,12H,10-11,16H2,1-2H3
InChIKeyUOVXTNFTQXUBQU-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.72
Rot. Bonds6

About 1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide

1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide (PubChem CID 79471332) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide
PubChem CID79471332
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide
SMILESCC(Cc1cccs1)N(C)S(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C15H20N2O2S2/c1-12(10-14-7-5-9-20-14)17(2)21(18,19)11-13-6-3-4-8-15(13)16/h3-9,12H,10-11,16H2,1-2H3
InChIKeyUOVXTNFTQXUBQU-UHFFFAOYSA-N
XLogP2.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-N-methyl-N-propan-2-ylmethanesulfonamide
CID 62022605
2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384073
3-amino-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79471331
4-amino-3-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 82846366
N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine
CID 79487562
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79491901
4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79471427
4-amino-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
CID 82898608
3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
CID 79472414
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945
1-(ethylamino)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propane-2-sulfonamide
CID 79487473
N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide
CID 124856489

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide (CID 79471332) is 1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide is CC(Cc1cccs1)N(C)S(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide?
The InChIKey is UOVXTNFTQXUBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-12(10-14-7-5-9-20-14)17(2)21(18,19)11-13-6-3-4-8-15(13)16/h3-9,12H,10-11,16H2,1-2H3.
What are the key properties of 1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide?
1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 79471332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).