1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol

C13H21NO3S — CID 113494512

IUPAC1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol
SMILESCCS(=O)(=O)CC(C)Nc1ccccc1C(C)O
InChIInChI=1S/C13H21NO3S/c1-4-18(16,17)9-10(2)14-13-8-6-5-7-12(13)11(3)15/h5-8,10-11,14-15H,4,9H2,1-3H3
InChIKeyOSIDECAQLKONNJ-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.98
Rot. Bonds6

About 1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol

1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol (PubChem CID 113494512) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol
PubChem CID113494512
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol
SMILESCCS(=O)(=O)CC(C)Nc1ccccc1C(C)O
InChIInChI=1S/C13H21NO3S/c1-4-18(16,17)9-10(2)14-13-8-6-5-7-12(13)11(3)15/h5-8,10-11,14-15H,4,9H2,1-3H3
InChIKeyOSIDECAQLKONNJ-UHFFFAOYSA-N
XLogP1.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(1-ethylsulfonylpropan-2-yl)-2-methylpyridin-3-amine
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1-[2-(5-methylheptan-3-ylamino)phenyl]ethanol
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N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
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1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol
CID 129056725
1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol
CID 114815631
N-[2-(1-hydroxyethyl)phenyl]butanamide
CID 43508507
ethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate
CID 61457351
2-(2-propan-2-ylanilino)propan-1-ol
CID 70464272
2-methylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630343

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol?
The IUPAC name of 1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol (CID 113494512) is 1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol.
What is the SMILES notation for 1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol?
The canonical SMILES for 1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol is CCS(=O)(=O)CC(C)Nc1ccccc1C(C)O.
What is the InChIKey of 1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol?
The InChIKey is OSIDECAQLKONNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-18(16,17)9-10(2)14-13-8-6-5-7-12(13)11(3)15/h5-8,10-11,14-15H,4,9H2,1-3H3.
What are the key properties of 1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol?
1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol has a molecular weight of 271.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol is sourced from PubChem (CID 113494512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).