3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide

C12H20N2O2S — CID 29302571

IUPAC3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C12H20N2O2S/c1-4-10(5-2)14-17(15,16)12-8-6-7-11(13)9(12)3/h6-8,10,14H,4-5,13H2,1-3H3
InChIKeyMWFUWLUYNAIYKA-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.04
Rot. Bonds5

About 3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide

3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide (PubChem CID 29302571) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide
PubChem CID29302571
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C12H20N2O2S/c1-4-10(5-2)14-17(15,16)12-8-6-7-11(13)9(12)3/h6-8,10,14H,4-5,13H2,1-3H3
InChIKeyMWFUWLUYNAIYKA-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 62118151
3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 54955050
3-amino-2-nitro-N-pentan-3-ylbenzenesulfonamide
CID 112675281
3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide
CID 55050396
3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 61125345
2-methyl-N-pentan-3-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106032068
2-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62149159
2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63994606
2-cyano-3-methyl-N-pentan-3-ylbenzenesulfonamide
CID 86043309
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 61104840
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzenesulfonamide
CID 107843628
3-amino-2-methyl-N-(4-methylpentyl)benzenesulfonamide
CID 61126637

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide (CID 29302571) is 3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide is CCC(CC)NS(=O)(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is MWFUWLUYNAIYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-10(5-2)14-17(15,16)12-8-6-7-11(13)9(12)3/h6-8,10,14H,4-5,13H2,1-3H3.
What are the key properties of 3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide?
3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 29302571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).