2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol

C12H19NO3S — CID 43500186

IUPAC2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol
SMILESCCS(=O)(=O)c1ccccc1NC(C)(C)CO
InChIInChI=1S/C12H19NO3S/c1-4-17(15,16)11-8-6-5-7-10(11)13-12(2,3)9-14/h5-8,13-14H,4,9H2,1-3H3
InChIKeyRAVJVBVRGPWXMU-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.66
Rot. Bonds5

About 2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol

2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol (PubChem CID 43500186) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol
PubChem CID43500186
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol
SMILESCCS(=O)(=O)c1ccccc1NC(C)(C)CO
InChIInChI=1S/C12H19NO3S/c1-4-17(15,16)11-8-6-5-7-10(11)13-12(2,3)9-14/h5-8,13-14H,4,9H2,1-3H3
InChIKeyRAVJVBVRGPWXMU-UHFFFAOYSA-N
XLogP1.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43500172
2-(2-ethylsulfonylanilino)-2-methylpropanamide
CID 61220775
2-ethyl-2-(2-ethylsulfonylanilino)butanoic acid
CID 79806562
2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol
CID 106172244
2-methyl-2-(2-methylanilino)propan-1-ol
CID 61045872
N-(3,3-dimethylbutyl)-2-ethylsulfonylaniline
CID 62951511
2-methyl-2-[2-(trifluoromethylsulfonyl)anilino]butan-1-ol
CID 64558011
2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide
CID 76892969
2-(2-ethylsulfonylanilino)-3-methoxypropan-1-ol
CID 106186517
N-(2-ethylsulfonylphenyl)pyrrol-1-amine
CID 79106671
2-ethylsulfonyl-N-(3-methylbutan-2-yl)aniline
CID 43453587
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 107849381

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol?
The IUPAC name of 2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol (CID 43500186) is 2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol is CCS(=O)(=O)c1ccccc1NC(C)(C)CO.
What is the InChIKey of 2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol?
The InChIKey is RAVJVBVRGPWXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-17(15,16)11-8-6-5-7-10(11)13-12(2,3)9-14/h5-8,13-14H,4,9H2,1-3H3.
What are the key properties of 2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol?
2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol has a molecular weight of 257.35 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 43500186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).