3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide

C13H22N2O2S — CID 43295489

IUPAC3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C13H22N2O2S/c1-5-10(2)9-15(4)18(16,17)13-8-6-7-12(14)11(13)3/h6-8,10H,5,9,14H2,1-4H3
InChIKeyBBCWLFXAHQHIHS-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.24
Rot. Bonds5

About 3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide

3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 43295489) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide
PubChem CID43295489
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(C)S(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C13H22N2O2S/c1-5-10(2)9-15(4)18(16,17)13-8-6-7-12(14)11(13)3/h6-8,10H,5,9,14H2,1-4H3
InChIKeyBBCWLFXAHQHIHS-UHFFFAOYSA-N
XLogP2.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114369
3-[(3-amino-2-methylphenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914050
3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
CID 79490206
3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 43265428
2-[(3-amino-2-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 55134560
3-amino-N,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295498
3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 43526071
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 106593839
3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112417
3-amino-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63879068
3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197542
5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60808130

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide (CID 43295489) is 3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CN(C)S(=O)(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is BBCWLFXAHQHIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-10(2)9-15(4)18(16,17)13-8-6-7-12(14)11(13)3/h6-8,10H,5,9,14H2,1-4H3.
What are the key properties of 3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide?
3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 43295489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).