(1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol

C15H19NO3S2 — CID 93384250

IUPAC(1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol
SMILESCS(=O)(=O)c1ccc([C@@H](O)CNCCc2cccs2)cc1
InChIInChI=1S/C15H19NO3S2/c1-21(18,19)14-6-4-12(5-7-14)15(17)11-16-9-8-13-3-2-10-20-13/h2-7,10,15-17H,8-9,11H2,1H3/t15-/m0/s1
InChIKeyQATTYDQPUNLLFL-HNNXBMFYSA-N
MW325.46 g/mol
LogP2.02
Rot. Bonds7

About (1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol

(1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol (PubChem CID 93384250) has the molecular formula C15H19NO3S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is (1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol
PubChem CID93384250
Molecular FormulaC15H19NO3S2
Molecular Weight325.46 g/mol
Exact Mass325.08
IUPAC Name(1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol
SMILESCS(=O)(=O)c1ccc([C@@H](O)CNCCc2cccs2)cc1
InChIInChI=1S/C15H19NO3S2/c1-21(18,19)14-6-4-12(5-7-14)15(17)11-16-9-8-13-3-2-10-20-13/h2-7,10,15-17H,8-9,11H2,1H3/t15-/m0/s1
InChIKeyQATTYDQPUNLLFL-HNNXBMFYSA-N
XLogP2.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 60724741
1-(4-methylsulfonylphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol
CID 106401084
2-(4-methylpentylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 60969570
1-(4-methylsulfonylphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 104760199
4-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]butanamide
CID 60909521
2-(5-methylhexylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 115325590
1-(4-methylsulfonylphenyl)-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518341
1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43182189
1-(2-thiophen-2-ylethylamino)butan-2-ol
CID 13476299
2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 60901127
2-methyl-1-[2-(4-methylsulfonylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111614585
2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 60900367

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol?
The IUPAC name of (1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol (CID 93384250) is (1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol.
What is the SMILES notation for (1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol?
The canonical SMILES for (1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol is CS(=O)(=O)c1ccc([C@@H](O)CNCCc2cccs2)cc1.
What is the InChIKey of (1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol?
The InChIKey is QATTYDQPUNLLFL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19NO3S2/c1-21(18,19)14-6-4-12(5-7-14)15(17)11-16-9-8-13-3-2-10-20-13/h2-7,10,15-17H,8-9,11H2,1H3/t15-/m0/s1.
What are the key properties of (1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol?
(1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol has a molecular weight of 325.46 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol is sourced from PubChem (CID 93384250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).