3-amino-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzenesulfonamide

C11H19N3O3S — CID 79382065

IUPAC3-amino-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzenesulfonamide
SMILESCN(CC(C)(C)O)c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H19N3O3S/c1-11(2,15)7-14(3)9-4-8(12)5-10(6-9)18(13,16)17/h4-6,15H,7,12H2,1-3H3,(H2,13,16,17)
InChIKeyGTFYKYJVSIMSEJ-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.12
Rot. Bonds4

About 3-amino-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzenesulfonamide

3-amino-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzenesulfonamide (PubChem CID 79382065) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-amino-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzenesulfonamide
PubChem CID79382065
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name3-amino-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzenesulfonamide
SMILESCN(CC(C)(C)O)c1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H19N3O3S/c1-11(2,15)7-14(3)9-4-8(12)5-10(6-9)18(13,16)17/h4-6,15H,7,12H2,1-3H3,(H2,13,16,17)
InChIKeyGTFYKYJVSIMSEJ-UHFFFAOYSA-N
XLogP0.12
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzenesulfonamide?
The IUPAC name of 3-amino-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzenesulfonamide (CID 79382065) is 3-amino-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzenesulfonamide?
The canonical SMILES for 3-amino-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzenesulfonamide is CN(CC(C)(C)O)c1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzenesulfonamide?
The InChIKey is GTFYKYJVSIMSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-11(2,15)7-14(3)9-4-8(12)5-10(6-9)18(13,16)17/h4-6,15H,7,12H2,1-3H3,(H2,13,16,17).
What are the key properties of 3-amino-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzenesulfonamide?
3-amino-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzenesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzenesulfonamide is sourced from PubChem (CID 79382065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).