4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]morpholine;oxalic acid

C16H22ClNO6S — CID 2924336

IUPAC4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]morpholine;oxalic acid
SMILESClc1ccc(SCCOCCN2CCOCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C14H20ClNO2S.C2H2O4/c15-13-1-3-14(4-2-13)19-12-11-18-10-7-16-5-8-17-9-6-16;3-1(4)2(5)6/h1-4H,5-12H2;(H,3,4)(H,5,6)
InChIKeyPRUHAFWUQSOLPC-UHFFFAOYSA-N
MW391.87 g/mol
LogP1.94
Rot. Bonds7

About 4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]morpholine;oxalic acid

4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]morpholine;oxalic acid (PubChem CID 2924336) has the molecular formula C16H22ClNO6S and a molecular weight of 391.87 g/mol. Its IUPAC name is 4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]morpholine;oxalic acid.

Molecular Properties

Compound Name4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]morpholine;oxalic acid
PubChem CID2924336
Molecular FormulaC16H22ClNO6S
Molecular Weight391.87 g/mol
Exact Mass391.09
IUPAC Name4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]morpholine;oxalic acid
SMILESClc1ccc(SCCOCCN2CCOCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C14H20ClNO2S.C2H2O4/c15-13-1-3-14(4-2-13)19-12-11-18-10-7-16-5-8-17-9-6-16;3-1(4)2(5)6/h1-4H,5-12H2;(H,3,4)(H,5,6)
InChIKeyPRUHAFWUQSOLPC-UHFFFAOYSA-N
XLogP1.94
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]morpholine;oxalic acid?
The IUPAC name of 4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]morpholine;oxalic acid (CID 2924336) is 4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]morpholine;oxalic acid.
What is the SMILES notation for 4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]morpholine;oxalic acid?
The canonical SMILES for 4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]morpholine;oxalic acid is Clc1ccc(SCCOCCN2CCOCC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]morpholine;oxalic acid?
The InChIKey is PRUHAFWUQSOLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S.C2H2O4/c15-13-1-3-14(4-2-13)19-12-11-18-10-7-16-5-8-17-9-6-16;3-1(4)2(5)6/h1-4H,5-12H2;(H,3,4)(H,5,6).
What are the key properties of 4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]morpholine;oxalic acid?
4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]morpholine;oxalic acid has a molecular weight of 391.87 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]morpholine;oxalic acid is sourced from PubChem (CID 2924336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).