2-(triphenyl-λ4-sulfanyl)ethanamine

C20H21NS — CID 126628928

IUPAC2-(triphenyl-λ4-sulfanyl)ethanamine
SMILESNCCS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NS/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,21H2
InChIKeyKSSBJTVHWNWZRT-UHFFFAOYSA-N
MW307.46 g/mol
LogP4.93
Rot. Bonds5

About 2-(triphenyl-λ4-sulfanyl)ethanamine

2-(triphenyl-λ4-sulfanyl)ethanamine (PubChem CID 126628928) has the molecular formula C20H21NS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(triphenyl-λ4-sulfanyl)ethanamine.

Molecular Properties

Compound Name2-(triphenyl-λ4-sulfanyl)ethanamine
PubChem CID126628928
Molecular FormulaC20H21NS
Molecular Weight307.46 g/mol
Exact Mass307.14
IUPAC Name2-(triphenyl-λ4-sulfanyl)ethanamine
SMILESNCCS(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NS/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,21H2
InChIKeyKSSBJTVHWNWZRT-UHFFFAOYSA-N
XLogP4.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(triphenyl-λ4-sulfanyl)ethanamine?
The IUPAC name of 2-(triphenyl-λ4-sulfanyl)ethanamine (CID 126628928) is 2-(triphenyl-λ4-sulfanyl)ethanamine.
What is the SMILES notation for 2-(triphenyl-λ4-sulfanyl)ethanamine?
The canonical SMILES for 2-(triphenyl-λ4-sulfanyl)ethanamine is NCCS(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(triphenyl-λ4-sulfanyl)ethanamine?
The InChIKey is KSSBJTVHWNWZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NS/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,21H2.
What are the key properties of 2-(triphenyl-λ4-sulfanyl)ethanamine?
2-(triphenyl-λ4-sulfanyl)ethanamine has a molecular weight of 307.46 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triphenyl-λ4-sulfanyl)ethanamine is sourced from PubChem (CID 126628928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).