2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol

C11H17NO4S — CID 117037408

IUPAC2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol
SMILESCC(C)Oc1ccc(S(=O)(=O)C(O)CN)cc1
InChIInChI=1S/C11H17NO4S/c1-8(2)16-9-3-5-10(6-4-9)17(14,15)11(13)7-12/h3-6,8,11,13H,7,12H2,1-2H3
InChIKeyNKCXHLFNIBLYFW-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.52
Rot. Bonds5

About 2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol

2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol (PubChem CID 117037408) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol.

Molecular Properties

Compound Name2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol
PubChem CID117037408
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol
SMILESCC(C)Oc1ccc(S(=O)(=O)C(O)CN)cc1
InChIInChI=1S/C11H17NO4S/c1-8(2)16-9-3-5-10(6-4-9)17(14,15)11(13)7-12/h3-6,8,11,13H,7,12H2,1-2H3
InChIKeyNKCXHLFNIBLYFW-UHFFFAOYSA-N
XLogP0.52
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
(4-propan-2-yloxyphenyl)methanesulfonamide
CID 115000801
4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride
CID 16740705
5-amino-4-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 116607520
(1Z)-N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzenecarboximidate
CID 56696846
4-[4-[3-[4-(4-propan-2-yloxyphenyl)sulfonylphenoxy]propoxy]phenyl]sulfonylphenol
CID 66718430
N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yloxybenzenesulfonamide
CID 39389642
2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 116924949
N-(3-amino-2-methylpropyl)-2-(4-propan-2-yloxyphenyl)acetamide
CID 115271689
N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide
CID 120664319
(2R)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 42254919
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol?
The IUPAC name of 2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol (CID 117037408) is 2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol.
What is the SMILES notation for 2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol?
The canonical SMILES for 2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol is CC(C)Oc1ccc(S(=O)(=O)C(O)CN)cc1.
What is the InChIKey of 2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol?
The InChIKey is NKCXHLFNIBLYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-8(2)16-9-3-5-10(6-4-9)17(14,15)11(13)7-12/h3-6,8,11,13H,7,12H2,1-2H3.
What are the key properties of 2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol?
2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol has a molecular weight of 259.33 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol is sourced from PubChem (CID 117037408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).