1-(4-aminophenyl)-N-(thiophen-3-ylmethyl)methanesulfonamide

C12H14N2O2S2 — CID 63247713

IUPAC1-(4-aminophenyl)-N-(thiophen-3-ylmethyl)methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)NCc2ccsc2)cc1
InChIInChI=1S/C12H14N2O2S2/c13-12-3-1-10(2-4-12)9-18(15,16)14-7-11-5-6-17-8-11/h1-6,8,14H,7,9,13H2
InChIKeyZBQWXJUJAKAZTP-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.95
Rot. Bonds5

About 1-(4-aminophenyl)-N-(thiophen-3-ylmethyl)methanesulfonamide

1-(4-aminophenyl)-N-(thiophen-3-ylmethyl)methanesulfonamide (PubChem CID 63247713) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(thiophen-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(thiophen-3-ylmethyl)methanesulfonamide
PubChem CID63247713
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name1-(4-aminophenyl)-N-(thiophen-3-ylmethyl)methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)NCc2ccsc2)cc1
InChIInChI=1S/C12H14N2O2S2/c13-12-3-1-10(2-4-12)9-18(15,16)14-7-11-5-6-17-8-11/h1-6,8,14H,7,9,13H2
InChIKeyZBQWXJUJAKAZTP-UHFFFAOYSA-N
XLogP1.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 30056935
4-(thiophen-3-ylmethylsulfonyl)aniline
CID 61368603
1-(4-aminophenyl)-N-propylmethanesulfonamide
CID 28546657
4-(2-thiophen-3-ylethylsulfamoylmethyl)benzenecarbothioamide
CID 61477660
3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 55175261
5-(2-aminoethyl)-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 63244126
1-(4-aminophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 63796032
2-hydrazinyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 63244355
1-piperidin-3-yl-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 55173705
N-[3-(thiophen-3-ylmethylamino)propyl]ethanesulfonamide
CID 115598596
methyl 3-[(4-aminophenyl)methylsulfamoyl]propanoate
CID 54952544
1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 61107643

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(thiophen-3-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-(thiophen-3-ylmethyl)methanesulfonamide (CID 63247713) is 1-(4-aminophenyl)-N-(thiophen-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(thiophen-3-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(thiophen-3-ylmethyl)methanesulfonamide is Nc1ccc(CS(=O)(=O)NCc2ccsc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-(thiophen-3-ylmethyl)methanesulfonamide?
The InChIKey is ZBQWXJUJAKAZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c13-12-3-1-10(2-4-12)9-18(15,16)14-7-11-5-6-17-8-11/h1-6,8,14H,7,9,13H2.
What are the key properties of 1-(4-aminophenyl)-N-(thiophen-3-ylmethyl)methanesulfonamide?
1-(4-aminophenyl)-N-(thiophen-3-ylmethyl)methanesulfonamide has a molecular weight of 282.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(thiophen-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 63247713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).