5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide

C11H18N2O3S — CID 103287793

IUPAC5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide
SMILESCCC(C)Oc1ccc(N)cc1S(=O)(=O)NC
InChIInChI=1S/C11H18N2O3S/c1-4-8(2)16-10-6-5-9(12)7-11(10)17(14,15)13-3/h5-8,13H,4,12H2,1-3H3
InChIKeyOIPYHPYFCVBXGN-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.35
Rot. Bonds5

About 5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide

5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide (PubChem CID 103287793) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide
PubChem CID103287793
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide
SMILESCCC(C)Oc1ccc(N)cc1S(=O)(=O)NC
InChIInChI=1S/C11H18N2O3S/c1-4-8(2)16-10-6-5-9(12)7-11(10)17(14,15)13-3/h5-8,13H,4,12H2,1-3H3
InChIKeyOIPYHPYFCVBXGN-UHFFFAOYSA-N
XLogP1.35
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.35
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

5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide
CID 103287848
5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
CID 103287723
5-amino-2-ethoxy-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 63836966
5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 103287799
4-butan-2-yloxy-N-methyl-3-nitrobenzenesulfonamide
CID 70649088
5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide
CID 103287820
5-amino-2-[ethyl(2-methylbutyl)amino]-N-methylbenzenesulfonamide
CID 103287184
5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106231931
5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide
CID 103287806
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide
CID 103286765
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide (CID 103287793) is 5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide is CCC(C)Oc1ccc(N)cc1S(=O)(=O)NC.
What is the InChIKey of 5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide?
The InChIKey is OIPYHPYFCVBXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-4-8(2)16-10-6-5-9(12)7-11(10)17(14,15)13-3/h5-8,13H,4,12H2,1-3H3.
What are the key properties of 5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide?
5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 103287793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).