2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol

C15H19NO2S — CID 104582523

IUPAC2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol
SMILESCC(NCCS(C)=O)c1ccc2ccccc2c1O
InChIInChI=1S/C15H19NO2S/c1-11(16-9-10-19(2)18)13-8-7-12-5-3-4-6-14(12)15(13)17/h3-8,11,16-17H,9-10H2,1-2H3
InChIKeyXHVXZNKMTNEJFR-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.57
Rot. Bonds5

About 2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol

2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol (PubChem CID 104582523) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol
PubChem CID104582523
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol
SMILESCC(NCCS(C)=O)c1ccc2ccccc2c1O
InChIInChI=1S/C15H19NO2S/c1-11(16-9-10-19(2)18)13-8-7-12-5-3-4-6-14(12)15(13)17/h3-8,11,16-17H,9-10H2,1-2H3
InChIKeyXHVXZNKMTNEJFR-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-(dimethylamino)ethylamino]ethyl]naphthalen-1-ol
CID 16787222
N-[2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]ethyl]methanesulfonamide
CID 43111802
4-[1-(1-hydroxynaphthalen-2-yl)ethylamino]butanoic acid
CID 60782934
2-[1-(2-thiophen-2-ylethylamino)ethyl]naphthalen-1-ol
CID 43195167
2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]acetic acid
CID 43135176
2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol
CID 115516053
1-hydroxy-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide
CID 115633303
3-fluoro-4-[1-(2-methylsulfinylethylamino)ethyl]phenol
CID 107715438
2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol
CID 61474992
2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol
CID 43207266
2-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]naphthalen-1-ol
CID 63981736
2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol
CID 104582361

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol (CID 104582523) is 2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol is CC(NCCS(C)=O)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol?
The InChIKey is XHVXZNKMTNEJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-11(16-9-10-19(2)18)13-8-7-12-5-3-4-6-14(12)15(13)17/h3-8,11,16-17H,9-10H2,1-2H3.
What are the key properties of 2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol?
2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol has a molecular weight of 277.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylsulfinylethylamino)ethyl]naphthalen-1-ol is sourced from PubChem (CID 104582523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).