2-[(2-chlorophenoxy)methyl]thiomorpholine

C11H14ClNOS — CID 83488099

IUPAC2-[(2-chlorophenoxy)methyl]thiomorpholine
SMILESClc1ccccc1OCC1CNCCS1
InChIInChI=1S/C11H14ClNOS/c12-10-3-1-2-4-11(10)14-8-9-7-13-5-6-15-9/h1-4,9,13H,5-8H2
InChIKeyWSXLZGFASVEOHX-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.42
Rot. Bonds3

About 2-[(2-chlorophenoxy)methyl]thiomorpholine

2-[(2-chlorophenoxy)methyl]thiomorpholine (PubChem CID 83488099) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]thiomorpholine.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]thiomorpholine
PubChem CID83488099
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name2-[(2-chlorophenoxy)methyl]thiomorpholine
SMILESClc1ccccc1OCC1CNCCS1
InChIInChI=1S/C11H14ClNOS/c12-10-3-1-2-4-11(10)14-8-9-7-13-5-6-15-9/h1-4,9,13H,5-8H2
InChIKeyWSXLZGFASVEOHX-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
(2R)-2-[(2-chlorophenoxy)methyl]morpholine
CID 42048764
6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane
CID 83823125
2-[(2-chlorophenoxy)methyl]-1,3-dioxolane
CID 82078485
(2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine
CID 95656879
N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922977
2-(3-chloro-4-ethoxyphenyl)thiomorpholine
CID 82300236
5-[2-(2-chlorophenoxy)ethyl]-3-[(3R)-pyrrolidin-3-yl]-1H-pyrazole
CID 95804657
5-[2-(2-chlorophenoxy)ethyl]-3-[(3S)-pyrrolidin-3-yl]-1H-pyrazole
CID 95804658
1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene
CID 141432461
[2-[(2-chlorophenoxy)methyl]cyclopropyl]methanol
CID 112547364
2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929847

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]thiomorpholine?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]thiomorpholine (CID 83488099) is 2-[(2-chlorophenoxy)methyl]thiomorpholine.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]thiomorpholine?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]thiomorpholine is Clc1ccccc1OCC1CNCCS1.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]thiomorpholine?
The InChIKey is WSXLZGFASVEOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-10-3-1-2-4-11(10)14-8-9-7-13-5-6-15-9/h1-4,9,13H,5-8H2.
What are the key properties of 2-[(2-chlorophenoxy)methyl]thiomorpholine?
2-[(2-chlorophenoxy)methyl]thiomorpholine has a molecular weight of 243.76 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]thiomorpholine is sourced from PubChem (CID 83488099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).