2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol

C13H15NO3S2 — CID 60898378

IUPAC2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol
SMILESCS(=O)(=O)c1ccc(NCC(O)c2cccs2)cc1
InChIInChI=1S/C13H15NO3S2/c1-19(16,17)11-6-4-10(5-7-11)14-9-12(15)13-3-2-8-18-13/h2-8,12,14-15H,9H2,1H3
InChIKeyHNNBQBVUTSLBOM-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.30
Rot. Bonds5

About 2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol

2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol (PubChem CID 60898378) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol
PubChem CID60898378
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC Name2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol
SMILESCS(=O)(=O)c1ccc(NCC(O)c2cccs2)cc1
InChIInChI=1S/C13H15NO3S2/c1-19(16,17)11-6-4-10(5-7-11)14-9-12(15)13-3-2-8-18-13/h2-8,12,14-15H,9H2,1H3
InChIKeyHNNBQBVUTSLBOM-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
CID 60909200
N-(2-hydroxy-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 110663309
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
N-[3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]propyl]methanesulfonamide
CID 113221919
2-(3-bromo-5-methylanilino)-1-thiophen-2-ylethanol
CID 107583087
2-(3-propan-2-ylanilino)-1-thiophen-2-ylethanol
CID 60899443
N-(4-methylsulfonylphenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 18127362
2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol
CID 60896734
(1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 93384250
2-(3-chloro-4-methoxyanilino)-1-thiophen-2-ylethanol
CID 60897079
2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol
CID 65435729
4-methyl-5-(4-methylsulfonylanilino)pentanoic acid
CID 82682615

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol (CID 60898378) is 2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol is CS(=O)(=O)c1ccc(NCC(O)c2cccs2)cc1.
What is the InChIKey of 2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol?
The InChIKey is HNNBQBVUTSLBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-19(16,17)11-6-4-10(5-7-11)14-9-12(15)13-3-2-8-18-13/h2-8,12,14-15H,9H2,1H3.
What are the key properties of 2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol?
2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol has a molecular weight of 297.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylanilino)-1-thiophen-2-ylethanol is sourced from PubChem (CID 60898378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).