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

C13H16N2O2S2 — CID 43527299

IUPAC1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
SMILESCN(Cc1cccs1)S(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H16N2O2S2/c1-15(9-13-6-3-7-18-13)19(16,17)10-11-4-2-5-12(14)8-11/h2-8H,9-10,14H2,1H3
InChIKeyFUMCDLQUSJPJSA-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.29
Rot. Bonds5

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

1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide (PubChem CID 43527299) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
PubChem CID43527299
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
SMILESCN(Cc1cccs1)S(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H16N2O2S2/c1-15(9-13-6-3-7-18-13)19(16,17)10-11-4-2-5-12(14)8-11/h2-8H,9-10,14H2,1H3
InChIKeyFUMCDLQUSJPJSA-UHFFFAOYSA-N
XLogP2.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.29
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-(3-aminophenyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylmethanesulfonamide
CID 61109757
1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
CID 43256235
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051
1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 63666776
N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 43383718
3-(2-thiophen-2-ylethyl)aniline
CID 170738786
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43527306
1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 61114484
1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide
CID 43266860
3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527201
5-amino-2-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61111716
1-amino-3-[[methyl(methylsulfamoyl)amino]methyl]benzene
CID 114804340

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide (CID 43527299) is 1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide is CN(Cc1cccs1)S(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide?
The InChIKey is FUMCDLQUSJPJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-15(9-13-6-3-7-18-13)19(16,17)10-11-4-2-5-12(14)8-11/h2-8H,9-10,14H2,1H3.
What are the key properties of 1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide?
1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 43527299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).