N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide

C12H19NO3S — CID 82723208

IUPACN-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide
SMILESCC(C)(C)ONS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C12H19NO3S/c1-12(2,3)16-13-17(14,15)10-9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyCIRRBVWFCMGSQR-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.88
Rot. Bonds5

About N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide

N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide (PubChem CID 82723208) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide
PubChem CID82723208
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide
SMILESCC(C)(C)ONS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C12H19NO3S/c1-12(2,3)16-13-17(14,15)10-9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyCIRRBVWFCMGSQR-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-phenylethanesulfonamide
CID 63194224
N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide
CID 79017328
N-(2-amino-4,4-dimethylpentyl)-2-phenylethanesulfonamide
CID 107158980
N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide
CID 103697673
N-(3-chloro-2,2-dimethylpropyl)-2-phenylethanesulfonamide
CID 113295116
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
3,3,3-trifluoro-2-methyl-2-(2-phenylethylsulfonylamino)propanoic acid
CID 79790456
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide
CID 103697669
N-(1-chloro-3-methylpentan-3-yl)-2-phenylethanesulfonamide
CID 106170107
2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid
CID 43619222
N-(2-aminobutyl)-2-phenylethanesulfonamide
CID 63731385
N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 95368060

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide (CID 82723208) is N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide is CC(C)(C)ONS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide?
The InChIKey is CIRRBVWFCMGSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-12(2,3)16-13-17(14,15)10-9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide?
N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide is sourced from PubChem (CID 82723208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).