N-methyl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine

C17H21NS2 — CID 15238574

IUPACN-methyl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine
SMILESCN(CCSc1ccccc1)CCSc1ccccc1
InChIInChI=1S/C17H21NS2/c1-18(12-14-19-16-8-4-2-5-9-16)13-15-20-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKeyAPOVNKUESXUMFO-UHFFFAOYSA-N
MW303.50 g/mol
LogP4.50
Rot. Bonds8

About N-methyl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine

N-methyl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine (PubChem CID 15238574) has the molecular formula C17H21NS2 and a molecular weight of 303.50 g/mol. Its IUPAC name is N-methyl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine
PubChem CID15238574
Molecular FormulaC17H21NS2
Molecular Weight303.50 g/mol
Exact Mass303.11
IUPAC NameN-methyl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine
SMILESCN(CCSc1ccccc1)CCSc1ccccc1
InChIInChI=1S/C17H21NS2/c1-18(12-14-19-16-8-4-2-5-9-16)13-15-20-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKeyAPOVNKUESXUMFO-UHFFFAOYSA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.50
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine?
The IUPAC name of N-methyl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine (CID 15238574) is N-methyl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine.
What is the SMILES notation for N-methyl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine?
The canonical SMILES for N-methyl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine is CN(CCSc1ccccc1)CCSc1ccccc1.
What is the InChIKey of N-methyl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine?
The InChIKey is APOVNKUESXUMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS2/c1-18(12-14-19-16-8-4-2-5-9-16)13-15-20-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3.
What are the key properties of N-methyl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine?
N-methyl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine has a molecular weight of 303.50 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenylsulfanyl-N-(2-phenylsulfanylethyl)ethanamine is sourced from PubChem (CID 15238574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).