4-[2-[(6-chloro-2-pyridinyl)sulfanyl]ethyl]morpholine;hydrochloride

C11H16Cl2N2OS — CID 3029365

IUPAC4-[2-[(6-chloro-2-pyridinyl)sulfanyl]ethyl]morpholine;hydrochloride
SMILESCl.Clc1cccc(SCCN2CCOCC2)n1
InChIInChI=1S/C11H15ClN2OS.ClH/c12-10-2-1-3-11(13-10)16-9-6-14-4-7-15-8-5-14;/h1-3H,4-9H2;1H
InChIKeyFMXKZHHIDSTTJU-UHFFFAOYSA-N
MW295.23 g/mol
LogP2.58
Rot. Bonds4

About 4-[2-[(6-chloro-2-pyridinyl)sulfanyl]ethyl]morpholine;hydrochloride

4-[2-[(6-chloro-2-pyridinyl)sulfanyl]ethyl]morpholine;hydrochloride (PubChem CID 3029365) has the molecular formula C11H16Cl2N2OS and a molecular weight of 295.23 g/mol. Its IUPAC name is 4-[2-[(6-chloro-2-pyridinyl)sulfanyl]ethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-[(6-chloro-2-pyridinyl)sulfanyl]ethyl]morpholine;hydrochloride
PubChem CID3029365
Molecular FormulaC11H16Cl2N2OS
Molecular Weight295.23 g/mol
Exact Mass294.04
IUPAC Name4-[2-[(6-chloro-2-pyridinyl)sulfanyl]ethyl]morpholine;hydrochloride
SMILESCl.Clc1cccc(SCCN2CCOCC2)n1
InChIInChI=1S/C11H15ClN2OS.ClH/c12-10-2-1-3-11(13-10)16-9-6-14-4-7-15-8-5-14;/h1-3H,4-9H2;1H
InChIKeyFMXKZHHIDSTTJU-UHFFFAOYSA-N
XLogP2.58
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-chloro-2-pyridinyl)sulfanyl]ethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-[(6-chloro-2-pyridinyl)sulfanyl]ethyl]morpholine;hydrochloride (CID 3029365) is 4-[2-[(6-chloro-2-pyridinyl)sulfanyl]ethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-[(6-chloro-2-pyridinyl)sulfanyl]ethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-[(6-chloro-2-pyridinyl)sulfanyl]ethyl]morpholine;hydrochloride is Cl.Clc1cccc(SCCN2CCOCC2)n1.
What is the InChIKey of 4-[2-[(6-chloro-2-pyridinyl)sulfanyl]ethyl]morpholine;hydrochloride?
The InChIKey is FMXKZHHIDSTTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS.ClH/c12-10-2-1-3-11(13-10)16-9-6-14-4-7-15-8-5-14;/h1-3H,4-9H2;1H.
What are the key properties of 4-[2-[(6-chloro-2-pyridinyl)sulfanyl]ethyl]morpholine;hydrochloride?
4-[2-[(6-chloro-2-pyridinyl)sulfanyl]ethyl]morpholine;hydrochloride has a molecular weight of 295.23 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-chloro-2-pyridinyl)sulfanyl]ethyl]morpholine;hydrochloride is sourced from PubChem (CID 3029365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).