2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-methylbenzenesulfonamide

C11H18N2O3S — CID 43498626

IUPAC2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NC(C)(C)CO
InChIInChI=1S/C11H18N2O3S/c1-8-5-4-6-9(12)10(8)17(15,16)13-11(2,3)7-14/h4-6,13-14H,7,12H2,1-3H3
InChIKeyXPSJVEULYNAGPX-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.63
Rot. Bonds4

About 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-methylbenzenesulfonamide

2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-methylbenzenesulfonamide (PubChem CID 43498626) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-methylbenzenesulfonamide
PubChem CID43498626
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NC(C)(C)CO
InChIInChI=1S/C11H18N2O3S/c1-8-5-4-6-9(12)10(8)17(15,16)13-11(2,3)7-14/h4-6,13-14H,7,12H2,1-3H3
InChIKeyXPSJVEULYNAGPX-UHFFFAOYSA-N
XLogP0.63
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-methylbenzenesulfonamide (CID 43498626) is 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-methylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)NC(C)(C)CO.
What is the InChIKey of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-methylbenzenesulfonamide?
The InChIKey is XPSJVEULYNAGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8-5-4-6-9(12)10(8)17(15,16)13-11(2,3)7-14/h4-6,13-14H,7,12H2,1-3H3.
What are the key properties of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-methylbenzenesulfonamide?
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-methylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 43498626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).