3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide

C13H22N2O2S — CID 54955050

IUPAC3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cccc(N)c1C)C(C)C
InChIInChI=1S/C13H22N2O2S/c1-5-12(9(2)3)15-18(16,17)13-8-6-7-11(14)10(13)4/h6-9,12,15H,5,14H2,1-4H3
InChIKeyQSZGNMLJRYAEPB-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.29
Rot. Bonds5

About 3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide

3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide (PubChem CID 54955050) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide
PubChem CID54955050
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cccc(N)c1C)C(C)C
InChIInChI=1S/C13H22N2O2S/c1-5-12(9(2)3)15-18(16,17)13-8-6-7-11(14)10(13)4/h6-9,12,15H,5,14H2,1-4H3
InChIKeyQSZGNMLJRYAEPB-UHFFFAOYSA-N
XLogP2.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.29
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-2-methyl-N-pentan-3-ylbenzenesulfonamide
CID 29302571
3-amino-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 62118151
3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide
CID 55050396
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79248106
3-amino-2-methyl-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 61125345
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide
CID 79247641
3-amino-2-methyl-N-(4-methylpentyl)benzenesulfonamide
CID 61126637
3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 43265428
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 79023963
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 61104840
3-amino-2-methyl-N-(7-methyloctyl)benzenesulfonamide
CID 107814631
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzenesulfonamide
CID 107843628

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide (CID 54955050) is 3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide is CCC(NS(=O)(=O)c1cccc(N)c1C)C(C)C.
What is the InChIKey of 3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is QSZGNMLJRYAEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-12(9(2)3)15-18(16,17)13-8-6-7-11(14)10(13)4/h6-9,12,15H,5,14H2,1-4H3.
What are the key properties of 3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide?
3-amino-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.29, 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-(2-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 54955050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).