2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine

C18H17NOS — CID 64658254

IUPAC2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine
SMILESNC(CS(=O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H17NOS/c19-18(13-21(20)17-8-2-1-3-9-17)16-11-10-14-6-4-5-7-15(14)12-16/h1-12,18H,13,19H2
InChIKeyVOOUJYDDLRPSPE-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.65
Rot. Bonds4

About 2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine

2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine (PubChem CID 64658254) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine
PubChem CID64658254
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine
SMILESNC(CS(=O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C18H17NOS/c19-18(13-21(20)17-8-2-1-3-9-17)16-11-10-14-6-4-5-7-15(14)12-16/h1-12,18H,13,19H2
InChIKeyVOOUJYDDLRPSPE-UHFFFAOYSA-N
XLogP3.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylsulfinyl-1-naphthalen-2-ylethanamine
CID 64652322
2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64659622
(3S)-3-amino-3-naphthalen-2-ylpropanoic acid
CID 7016475
(3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride
CID 127263273
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
1-naphthalen-2-yl-4-phenylbutan-1-amine
CID 63416758
2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine
CID 64659861
(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
CID 171220879
(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine
CID 43105278

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine?
The IUPAC name of 2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine (CID 64658254) is 2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine.
What is the SMILES notation for 2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine?
The canonical SMILES for 2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine is NC(CS(=O)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine?
The InChIKey is VOOUJYDDLRPSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c19-18(13-21(20)17-8-2-1-3-9-17)16-11-10-14-6-4-5-7-15(14)12-16/h1-12,18H,13,19H2.
What are the key properties of 2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine?
2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine has a molecular weight of 295.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 64658254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).