1-[[methyl(2-methylsulfonylethyl)amino]methyl]naphthalen-2-ol

C15H19NO3S — CID 78924775

IUPAC1-[[methyl(2-methylsulfonylethyl)amino]methyl]naphthalen-2-ol
SMILESCN(CCS(C)(=O)=O)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C15H19NO3S/c1-16(9-10-20(2,18)19)11-14-13-6-4-3-5-12(13)7-8-15(14)17/h3-8,17H,9-11H2,1-2H3
InChIKeyKZLVWRGQGIKDLK-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.02
Rot. Bonds5

About 1-[[methyl(2-methylsulfonylethyl)amino]methyl]naphthalen-2-ol

1-[[methyl(2-methylsulfonylethyl)amino]methyl]naphthalen-2-ol (PubChem CID 78924775) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[[methyl(2-methylsulfonylethyl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[methyl(2-methylsulfonylethyl)amino]methyl]naphthalen-2-ol
PubChem CID78924775
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name1-[[methyl(2-methylsulfonylethyl)amino]methyl]naphthalen-2-ol
SMILESCN(CCS(C)(=O)=O)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C15H19NO3S/c1-16(9-10-20(2,18)19)11-14-13-6-4-3-5-12(13)7-8-15(14)17/h3-8,17H,9-11H2,1-2H3
InChIKeyKZLVWRGQGIKDLK-UHFFFAOYSA-N
XLogP2.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(2-methylsulfonylethyl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[methyl(2-methylsulfonylethyl)amino]methyl]naphthalen-2-ol (CID 78924775) is 1-[[methyl(2-methylsulfonylethyl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[methyl(2-methylsulfonylethyl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[methyl(2-methylsulfonylethyl)amino]methyl]naphthalen-2-ol is CN(CCS(C)(=O)=O)Cc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[methyl(2-methylsulfonylethyl)amino]methyl]naphthalen-2-ol?
The InChIKey is KZLVWRGQGIKDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-16(9-10-20(2,18)19)11-14-13-6-4-3-5-12(13)7-8-15(14)17/h3-8,17H,9-11H2,1-2H3.
What are the key properties of 1-[[methyl(2-methylsulfonylethyl)amino]methyl]naphthalen-2-ol?
1-[[methyl(2-methylsulfonylethyl)amino]methyl]naphthalen-2-ol has a molecular weight of 293.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(2-methylsulfonylethyl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 78924775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).