N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-phenylethanesulfonamide

C13H21NO3S — CID 113351315

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-phenylethanesulfonamide
SMILESCN(C(C)(C)CO)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C13H21NO3S/c1-13(2,11-15)14(3)18(16,17)10-9-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3
InChIKeyCDQNXETYTKFUJF-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.26
Rot. Bonds6

About N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-phenylethanesulfonamide

N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-phenylethanesulfonamide (PubChem CID 113351315) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-phenylethanesulfonamide
PubChem CID113351315
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-phenylethanesulfonamide
SMILESCN(C(C)(C)CO)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C13H21NO3S/c1-13(2,11-15)14(3)18(16,17)10-9-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3
InChIKeyCDQNXETYTKFUJF-UHFFFAOYSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-phenylethanesulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-phenylethanesulfonamide (CID 113351315) is N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-phenylethanesulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-phenylethanesulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-phenylethanesulfonamide is CN(C(C)(C)CO)S(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-phenylethanesulfonamide?
The InChIKey is CDQNXETYTKFUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-13(2,11-15)14(3)18(16,17)10-9-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3.
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-phenylethanesulfonamide?
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-phenylethanesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-phenylethanesulfonamide is sourced from PubChem (CID 113351315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).