3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine

C11H15ClN2S — CID 131052532

IUPAC3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine
SMILESClCC1CSCCN1Cc1cccnc1
InChIInChI=1S/C11H15ClN2S/c12-6-11-9-15-5-4-14(11)8-10-2-1-3-13-7-10/h1-3,7,11H,4-6,8-9H2
InChIKeyJCSJETHQGDRPHK-UHFFFAOYSA-N
MW242.77 g/mol
LogP2.24
Rot. Bonds3

About 3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine

3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine (PubChem CID 131052532) has the molecular formula C11H15ClN2S and a molecular weight of 242.77 g/mol. Its IUPAC name is 3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine.

Molecular Properties

Compound Name3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine
PubChem CID131052532
Molecular FormulaC11H15ClN2S
Molecular Weight242.77 g/mol
Exact Mass242.06
IUPAC Name3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine
SMILESClCC1CSCCN1Cc1cccnc1
InChIInChI=1S/C11H15ClN2S/c12-6-11-9-15-5-4-14(11)8-10-2-1-3-13-7-10/h1-3,7,11H,4-6,8-9H2
InChIKeyJCSJETHQGDRPHK-UHFFFAOYSA-N
XLogP2.24
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-carboxylic acid
CID 172854728
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
CID 102784644
2-(4-benzylthiomorpholin-3-yl)acetic acid
CID 66442992
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580182
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine
CID 63759147
2-pyridin-3-yl-1-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]ethanone
CID 18915165
2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 92629095
3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006197
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile
CID 117028174
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62580373
3-[[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006196

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine?
The IUPAC name of 3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine (CID 131052532) is 3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine.
What is the SMILES notation for 3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine?
The canonical SMILES for 3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine is ClCC1CSCCN1Cc1cccnc1.
What is the InChIKey of 3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine?
The InChIKey is JCSJETHQGDRPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S/c12-6-11-9-15-5-4-14(11)8-10-2-1-3-13-7-10/h1-3,7,11H,4-6,8-9H2.
What are the key properties of 3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine?
3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine has a molecular weight of 242.77 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine is sourced from PubChem (CID 131052532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).