2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol

C15H19NO3S — CID 60918702

IUPAC2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol
SMILESCS(=O)(=O)CCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C15H19NO3S/c1-20(18,19)9-8-16-11-15(17)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15-17H,8-9,11H2,1H3
InChIKeyFIEGTTJQXOKADS-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.51
Rot. Bonds6

About 2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol

2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol (PubChem CID 60918702) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol
PubChem CID60918702
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol
SMILESCS(=O)(=O)CCNCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C15H19NO3S/c1-20(18,19)9-8-16-11-15(17)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15-17H,8-9,11H2,1H3
InChIKeyFIEGTTJQXOKADS-UHFFFAOYSA-N
XLogP1.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 54934596
1-(3-bromophenyl)-2-(2-methylsulfonylethylamino)ethanol
CID 54935167
2-(2-methoxyethylamino)-1-naphthalen-2-ylethanol
CID 60903871
3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]propan-1-ol
CID 60909589
2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol
CID 60900061
2-(3-methylsulfanylpropylamino)-1-naphthalen-2-ylethanol
CID 63966471
2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol
CID 60969599
5-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]pentanamide
CID 106237033
(1S)-2-(3-methylsulfonylpropylamino)-1-phenylethanol
CID 93451131
2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol
CID 61167220
4-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1-methoxybutan-2-ol
CID 106246545
2-[2-(2-methylprop-2-enoxy)ethylamino]-1-naphthalen-2-ylethanol
CID 114467654

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol?
The IUPAC name of 2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol (CID 60918702) is 2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol is CS(=O)(=O)CCNCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol?
The InChIKey is FIEGTTJQXOKADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-20(18,19)9-8-16-11-15(17)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10,15-17H,8-9,11H2,1H3.
What are the key properties of 2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol?
2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol has a molecular weight of 293.39 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylamino)-1-naphthalen-2-ylethanol is sourced from PubChem (CID 60918702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).