2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide

C12H20N2O3S — CID 55161343

IUPAC2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1C(CN)CO
InChIInChI=1S/C12H20N2O3S/c1-9(2)14-18(16,17)12-6-4-3-5-11(12)10(7-13)8-15/h3-6,9-10,14-15H,7-8,13H2,1-2H3
InChIKeyZYACVJZVXWCIRX-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.41
Rot. Bonds6

About 2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide

2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 55161343) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide
PubChem CID55161343
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1C(CN)CO
InChIInChI=1S/C12H20N2O3S/c1-9(2)14-18(16,17)12-6-4-3-5-11(12)10(7-13)8-15/h3-6,9-10,14-15H,7-8,13H2,1-2H3
InChIKeyZYACVJZVXWCIRX-UHFFFAOYSA-N
XLogP0.41
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide (CID 55161343) is 2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1C(CN)CO.
What is the InChIKey of 2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is ZYACVJZVXWCIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9(2)14-18(16,17)12-6-4-3-5-11(12)10(7-13)8-15/h3-6,9-10,14-15H,7-8,13H2,1-2H3.
What are the key properties of 2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide?
2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-hydroxypropan-2-yl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 55161343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).