4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine

C10H13ClN2S — CID 61254912

IUPAC4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine
SMILESClCc1cccnc1N1CCSCC1
InChIInChI=1S/C10H13ClN2S/c11-8-9-2-1-3-12-10(9)13-4-6-14-7-5-13/h1-3H,4-8H2
InChIKeyAZWXDQOBYCDWDL-UHFFFAOYSA-N
MW228.75 g/mol
LogP2.37
Rot. Bonds2

About 4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine

4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine (PubChem CID 61254912) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is 4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine.

Molecular Properties

Compound Name4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine
PubChem CID61254912
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC Name4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine
SMILESClCc1cccnc1N1CCSCC1
InChIInChI=1S/C10H13ClN2S/c11-8-9-2-1-3-12-10(9)13-4-6-14-7-5-13/h1-3H,4-8H2
InChIKeyAZWXDQOBYCDWDL-UHFFFAOYSA-N
XLogP2.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine?
The IUPAC name of 4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine (CID 61254912) is 4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine.
What is the SMILES notation for 4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine?
The canonical SMILES for 4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine is ClCc1cccnc1N1CCSCC1.
What is the InChIKey of 4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine?
The InChIKey is AZWXDQOBYCDWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2S/c11-8-9-2-1-3-12-10(9)13-4-6-14-7-5-13/h1-3H,4-8H2.
What are the key properties of 4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine?
4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine has a molecular weight of 228.75 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine is sourced from PubChem (CID 61254912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).