2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide

C13H16N2O2S2 — CID 55173103

IUPAC2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C13H16N2O2S2/c1-10(9-11-5-4-8-18-11)15-19(16,17)13-7-3-2-6-12(13)14/h2-8,10,15H,9,14H2,1H3
InChIKeyOCMXDEJOFDPSJN-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.24
Rot. Bonds5

About 2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide

2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (PubChem CID 55173103) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
PubChem CID55173103
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C13H16N2O2S2/c1-10(9-11-5-4-8-18-11)15-19(16,17)13-7-3-2-6-12(13)14/h2-8,10,15H,9,14H2,1H3
InChIKeyOCMXDEJOFDPSJN-UHFFFAOYSA-N
XLogP2.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.24
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

2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012265
4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291367
4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291622
5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291710
2-hydrazinyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63291970
2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63295984
N-(1-thiophen-2-ylpropan-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 71897176
2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide
CID 113375971
2-hydrazinyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 63292014
4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide
CID 106004118
2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide
CID 79578342
6-amino-N-(1-thiophen-2-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63295938

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (CID 55173103) is 2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is CC(Cc1cccs1)NS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is OCMXDEJOFDPSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-10(9-11-5-4-8-18-11)15-19(16,17)13-7-3-2-6-12(13)14/h2-8,10,15H,9,14H2,1H3.
What are the key properties of 2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 55173103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).