2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide

C15H20N2O2S2 — CID 80526302

IUPAC2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-11-6-4-7-12(16)14(11)21(18,19)17-10-15(2,3)13-8-5-9-20-13/h4-9,17H,10,16H2,1-3H3
InChIKeyTWMVBUGAIXLUAQ-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.89
Rot. Bonds5

About 2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide

2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide (PubChem CID 80526302) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
PubChem CID80526302
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C15H20N2O2S2/c1-11-6-4-7-12(16)14(11)21(18,19)17-10-15(2,3)13-8-5-9-20-13/h4-9,17H,10,16H2,1-3H3
InChIKeyTWMVBUGAIXLUAQ-UHFFFAOYSA-N
XLogP2.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.89
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-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 79477673
2-amino-4-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80526301
2-amino-N-(2,3-dihydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
CID 66168995
4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80522231
2-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)thiophene-3-sulfonamide
CID 106072628
6-hydrazinyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide
CID 80522758
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
1-(3-aminophenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)methanesulfonamide
CID 80526318
4-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 110731451
2-amino-6-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61112321
2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43452325
2-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzenesulfonamide
CID 115992879

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide (CID 80526302) is 2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)NCC(C)(C)c1cccs1.
What is the InChIKey of 2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide?
The InChIKey is TWMVBUGAIXLUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-11-6-4-7-12(16)14(11)21(18,19)17-10-15(2,3)13-8-5-9-20-13/h4-9,17H,10,16H2,1-3H3.
What are the key properties of 2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide?
2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 80526302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).