(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanimine

C14H20N2OS — CID 10890750

IUPAC(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanimine
SMILESCOC[C@@H]1CCCN1/N=C/CSc1ccccc1
InChIInChI=1S/C14H20N2OS/c1-17-12-13-6-5-10-16(13)15-9-11-18-14-7-3-2-4-8-14/h2-4,7-9,13H,5-6,10-12H2,1H3/b15-9+/t13-/m0/s1
InChIKeyDCYZISDDXOIDBE-NCPSJORJSA-N
MW264.39 g/mol
LogP2.88
Rot. Bonds6

About (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanimine

(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanimine (PubChem CID 10890750) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanimine.

Molecular Properties

Compound Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanimine
PubChem CID10890750
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanimine
SMILESCOC[C@@H]1CCCN1/N=C/CSc1ccccc1
InChIInChI=1S/C14H20N2OS/c1-17-12-13-6-5-10-16(13)15-9-11-18-14-7-3-2-4-8-14/h2-4,7-9,13H,5-6,10-12H2,1H3/b15-9+/t13-/m0/s1
InChIKeyDCYZISDDXOIDBE-NCPSJORJSA-N
XLogP2.88
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanimine?
The IUPAC name of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanimine (CID 10890750) is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanimine.
What is the SMILES notation for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanimine?
The canonical SMILES for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanimine is COC[C@@H]1CCCN1/N=C/CSc1ccccc1.
What is the InChIKey of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanimine?
The InChIKey is DCYZISDDXOIDBE-NCPSJORJSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-17-12-13-6-5-10-16(13)15-9-11-18-14-7-3-2-4-8-14/h2-4,7-9,13H,5-6,10-12H2,1H3/b15-9+/t13-/m0/s1.
What are the key properties of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanimine?
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanimine has a molecular weight of 264.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanimine is sourced from PubChem (CID 10890750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).