N-[2-(6-hydroxynaphthalen-2-yl)ethyl]methanesulfinamide

C13H15NO2S — CID 142191218

IUPACN-[2-(6-hydroxynaphthalen-2-yl)ethyl]methanesulfinamide
SMILESCS(=O)NCCc1ccc2cc(O)ccc2c1
InChIInChI=1S/C13H15NO2S/c1-17(16)14-7-6-10-2-3-12-9-13(15)5-4-11(12)8-10/h2-5,8-9,14-15H,6-7H2,1H3
InChIKeyNBOZAXOIVHGWMH-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.97
Rot. Bonds4

About N-[2-(6-hydroxynaphthalen-2-yl)ethyl]methanesulfinamide

N-[2-(6-hydroxynaphthalen-2-yl)ethyl]methanesulfinamide (PubChem CID 142191218) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[2-(6-hydroxynaphthalen-2-yl)ethyl]methanesulfinamide.

Molecular Properties

Compound NameN-[2-(6-hydroxynaphthalen-2-yl)ethyl]methanesulfinamide
PubChem CID142191218
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC NameN-[2-(6-hydroxynaphthalen-2-yl)ethyl]methanesulfinamide
SMILESCS(=O)NCCc1ccc2cc(O)ccc2c1
InChIInChI=1S/C13H15NO2S/c1-17(16)14-7-6-10-2-3-12-9-13(15)5-4-11(12)8-10/h2-5,8-9,14-15H,6-7H2,1H3
InChIKeyNBOZAXOIVHGWMH-UHFFFAOYSA-N
XLogP1.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
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6-(2-hydroxypropyl)naphthalen-2-ol
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6-octylnaphthalen-2-ol;trifluoromethanesulfonic acid
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3-(6-hydroxynaphthalen-2-yl)-2-methylpropanoic acid
CID 174589043
(7-hydroxynaphthalen-2-yl)methanesulfonic acid
CID 175033542
methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride
CID 54768230
6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride
CID 20541926
bis(1,4-diethylbenzene);tris(naphthalen-2-ol)
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sodium;hydride;naphthalene-2,6-diol
CID 174639769

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-hydroxynaphthalen-2-yl)ethyl]methanesulfinamide?
The IUPAC name of N-[2-(6-hydroxynaphthalen-2-yl)ethyl]methanesulfinamide (CID 142191218) is N-[2-(6-hydroxynaphthalen-2-yl)ethyl]methanesulfinamide.
What is the SMILES notation for N-[2-(6-hydroxynaphthalen-2-yl)ethyl]methanesulfinamide?
The canonical SMILES for N-[2-(6-hydroxynaphthalen-2-yl)ethyl]methanesulfinamide is CS(=O)NCCc1ccc2cc(O)ccc2c1.
What is the InChIKey of N-[2-(6-hydroxynaphthalen-2-yl)ethyl]methanesulfinamide?
The InChIKey is NBOZAXOIVHGWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-17(16)14-7-6-10-2-3-12-9-13(15)5-4-11(12)8-10/h2-5,8-9,14-15H,6-7H2,1H3.
What are the key properties of N-[2-(6-hydroxynaphthalen-2-yl)ethyl]methanesulfinamide?
N-[2-(6-hydroxynaphthalen-2-yl)ethyl]methanesulfinamide has a molecular weight of 249.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-hydroxynaphthalen-2-yl)ethyl]methanesulfinamide is sourced from PubChem (CID 142191218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).