2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol

C14H17NO4S — CID 60901127

IUPAC2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)CNCc2ccco2)cc1
InChIInChI=1S/C14H17NO4S/c1-20(17,18)13-6-4-11(5-7-13)14(16)10-15-9-12-3-2-8-19-12/h2-8,14-16H,9-10H2,1H3
InChIKeyNXLOJOPUOLLDDP-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.51
Rot. Bonds6

About 2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol

2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 60901127) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol
PubChem CID60901127
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)CNCc2ccco2)cc1
InChIInChI=1S/C14H17NO4S/c1-20(17,18)13-6-4-11(5-7-13)14(16)10-15-9-12-3-2-8-19-12/h2-8,14-16H,9-10H2,1H3
InChIKeyNXLOJOPUOLLDDP-UHFFFAOYSA-N
XLogP1.51
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol
CID 112501576
N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine
CID 16774640
2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
CID 82314079
1-(4-methylsulfonylphenyl)-2-[(4-propan-2-ylphenyl)methylamino]ethanol
CID 166178913
N-(furan-2-ylmethyl)-4-methylsulfonylaniline
CID 3511468
1-(furan-2-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623530
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-(4-methylsulfonylphenyl)ethanol
CID 106398455
2-[[2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 60900367
N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 17490399
N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771277
N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 95594368
1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol
CID 112510911

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol (CID 60901127) is 2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol is CS(=O)(=O)c1ccc(C(O)CNCc2ccco2)cc1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is NXLOJOPUOLLDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-20(17,18)13-6-4-11(5-7-13)14(16)10-15-9-12-3-2-8-19-12/h2-8,14-16H,9-10H2,1H3.
What are the key properties of 2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol?
2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol has a molecular weight of 295.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 60901127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).