2-[naphthalen-2-yl(diphenyl)methyl]sulfanylethanamine

C25H23NS — CID 57380881

IUPAC2-[naphthalen-2-yl(diphenyl)methyl]sulfanylethanamine
SMILESNCCSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H23NS/c26-17-18-27-25(22-11-3-1-4-12-22,23-13-5-2-6-14-23)24-16-15-20-9-7-8-10-21(20)19-24/h1-16,19H,17-18,26H2
InChIKeyXUOVCMGJLMPESU-UHFFFAOYSA-N
MW369.53 g/mol
LogP5.82
Rot. Bonds6

About 2-[naphthalen-2-yl(diphenyl)methyl]sulfanylethanamine

2-[naphthalen-2-yl(diphenyl)methyl]sulfanylethanamine (PubChem CID 57380881) has the molecular formula C25H23NS and a molecular weight of 369.53 g/mol. Its IUPAC name is 2-[naphthalen-2-yl(diphenyl)methyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[naphthalen-2-yl(diphenyl)methyl]sulfanylethanamine
PubChem CID57380881
Molecular FormulaC25H23NS
Molecular Weight369.53 g/mol
Exact Mass369.16
IUPAC Name2-[naphthalen-2-yl(diphenyl)methyl]sulfanylethanamine
SMILESNCCSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H23NS/c26-17-18-27-25(22-11-3-1-4-12-22,23-13-5-2-6-14-23)24-16-15-20-9-7-8-10-21(20)19-24/h1-16,19H,17-18,26H2
InChIKeyXUOVCMGJLMPESU-UHFFFAOYSA-N
XLogP5.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[naphthalen-2-yl(diphenyl)methyl]sulfanylethanamine?
The IUPAC name of 2-[naphthalen-2-yl(diphenyl)methyl]sulfanylethanamine (CID 57380881) is 2-[naphthalen-2-yl(diphenyl)methyl]sulfanylethanamine.
What is the SMILES notation for 2-[naphthalen-2-yl(diphenyl)methyl]sulfanylethanamine?
The canonical SMILES for 2-[naphthalen-2-yl(diphenyl)methyl]sulfanylethanamine is NCCSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[naphthalen-2-yl(diphenyl)methyl]sulfanylethanamine?
The InChIKey is XUOVCMGJLMPESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NS/c26-17-18-27-25(22-11-3-1-4-12-22,23-13-5-2-6-14-23)24-16-15-20-9-7-8-10-21(20)19-24/h1-16,19H,17-18,26H2.
What are the key properties of 2-[naphthalen-2-yl(diphenyl)methyl]sulfanylethanamine?
2-[naphthalen-2-yl(diphenyl)methyl]sulfanylethanamine has a molecular weight of 369.53 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[naphthalen-2-yl(diphenyl)methyl]sulfanylethanamine is sourced from PubChem (CID 57380881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).