1-naphthalen-1-yl-2-(oxetan-3-ylsulfanyl)ethanamine

C15H17NOS — CID 79332636

IUPAC1-naphthalen-1-yl-2-(oxetan-3-ylsulfanyl)ethanamine
SMILESNC(CSC1COC1)c1cccc2ccccc12
InChIInChI=1S/C15H17NOS/c16-15(10-18-12-8-17-9-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,15H,8-10,16H2
InChIKeyGNVJBBAGESELJU-UHFFFAOYSA-N
MW259.37 g/mol
LogP2.97
Rot. Bonds4

About 1-naphthalen-1-yl-2-(oxetan-3-ylsulfanyl)ethanamine

1-naphthalen-1-yl-2-(oxetan-3-ylsulfanyl)ethanamine (PubChem CID 79332636) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-naphthalen-1-yl-2-(oxetan-3-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-naphthalen-1-yl-2-(oxetan-3-ylsulfanyl)ethanamine
PubChem CID79332636
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-naphthalen-1-yl-2-(oxetan-3-ylsulfanyl)ethanamine
SMILESNC(CSC1COC1)c1cccc2ccccc12
InChIInChI=1S/C15H17NOS/c16-15(10-18-12-8-17-9-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,15H,8-10,16H2
InChIKeyGNVJBBAGESELJU-UHFFFAOYSA-N
XLogP2.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine
CID 64627941
1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79333350
2-benzylsulfanyl-1-naphthalen-1-ylethanamine
CID 64619248
2-cyclohexylsulfanyl-1-isoquinolin-4-ylethanamine
CID 65139951
1-naphthalen-1-yl-2-propylsulfanylethanamine
CID 64614496
2-chloro-1-naphthalen-1-ylethanamine
CID 116937640
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
N'-methyl-1-naphthalen-1-yl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734629
2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine
CID 64613898
2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol
CID 65139691
2-cycloheptyl-1-naphthalen-1-ylethanamine
CID 114457695
3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
CID 62790893

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-2-(oxetan-3-ylsulfanyl)ethanamine?
The IUPAC name of 1-naphthalen-1-yl-2-(oxetan-3-ylsulfanyl)ethanamine (CID 79332636) is 1-naphthalen-1-yl-2-(oxetan-3-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-naphthalen-1-yl-2-(oxetan-3-ylsulfanyl)ethanamine?
The canonical SMILES for 1-naphthalen-1-yl-2-(oxetan-3-ylsulfanyl)ethanamine is NC(CSC1COC1)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-2-(oxetan-3-ylsulfanyl)ethanamine?
The InChIKey is GNVJBBAGESELJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c16-15(10-18-12-8-17-9-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,15H,8-10,16H2.
What are the key properties of 1-naphthalen-1-yl-2-(oxetan-3-ylsulfanyl)ethanamine?
1-naphthalen-1-yl-2-(oxetan-3-ylsulfanyl)ethanamine has a molecular weight of 259.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-2-(oxetan-3-ylsulfanyl)ethanamine is sourced from PubChem (CID 79332636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).