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

C14H17NO2S — CID 115632450

IUPAC1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol
SMILESCS(=O)CCNCc1c(O)ccc2ccccc12
InChIInChI=1S/C14H17NO2S/c1-18(17)9-8-15-10-13-12-5-3-2-4-11(12)6-7-14(13)16/h2-7,15-16H,8-10H2,1H3
InChIKeyWOJPSDDQLNGTEJ-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.01
Rot. Bonds5

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

1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol (PubChem CID 115632450) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol
PubChem CID115632450
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol
SMILESCS(=O)CCNCc1c(O)ccc2ccccc12
InChIInChI=1S/C14H17NO2S/c1-18(17)9-8-15-10-13-12-5-3-2-4-11(12)6-7-14(13)16/h2-7,15-16H,8-10H2,1H3
InChIKeyWOJPSDDQLNGTEJ-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-[(2-methylsulfinylethylamino)methyl]phenol
CID 115632524
1-[(3-methylsulfonylpropylamino)methyl]naphthalen-2-ol
CID 61019837
2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide
CID 43551924
1-[(octylamino)methyl]naphthalen-2-ol
CID 44531481
1-[(pent-3-ynylamino)methyl]naphthalen-2-ol
CID 116642987
1-[[2-[di(propan-2-yl)amino]ethylamino]methyl]naphthalen-2-ol
CID 43824878
1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
CID 61166416
1-[[(2-hydroxy-2-methylpropyl)amino]methyl]naphthalen-2-ol
CID 63933523
2-methylsulfinyl-N-(naphthalen-2-ylmethyl)ethanamine
CID 115632533
2-[(2-hydroxynaphthalen-1-yl)methylamino]-N,N-dimethylacetamide
CID 43310908
1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol
CID 60912931
N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115602923

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol (CID 115632450) is 1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol is CS(=O)CCNCc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol?
The InChIKey is WOJPSDDQLNGTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-18(17)9-8-15-10-13-12-5-3-2-4-11(12)6-7-14(13)16/h2-7,15-16H,8-10H2,1H3.
What are the key properties of 1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol?
1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol has a molecular weight of 263.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylsulfinylethylamino)methyl]naphthalen-2-ol is sourced from PubChem (CID 115632450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).