4-[(4-chloro-2-pyridinyl)methyl]-3-methylthiomorpholine

C11H15ClN2S — CID 79254901

IUPAC4-[(4-chloro-2-pyridinyl)methyl]-3-methylthiomorpholine
SMILESCC1CSCCN1Cc1cc(Cl)ccn1
InChIInChI=1S/C11H15ClN2S/c1-9-8-15-5-4-14(9)7-11-6-10(12)2-3-13-11/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyZWUDOMIWBKWZAD-UHFFFAOYSA-N
MW242.77 g/mol
LogP2.67
Rot. Bonds2

About 4-[(4-chloro-2-pyridinyl)methyl]-3-methylthiomorpholine

4-[(4-chloro-2-pyridinyl)methyl]-3-methylthiomorpholine (PubChem CID 79254901) has the molecular formula C11H15ClN2S and a molecular weight of 242.77 g/mol. Its IUPAC name is 4-[(4-chloro-2-pyridinyl)methyl]-3-methylthiomorpholine.

Molecular Properties

Compound Name4-[(4-chloro-2-pyridinyl)methyl]-3-methylthiomorpholine
PubChem CID79254901
Molecular FormulaC11H15ClN2S
Molecular Weight242.77 g/mol
Exact Mass242.06
IUPAC Name4-[(4-chloro-2-pyridinyl)methyl]-3-methylthiomorpholine
SMILESCC1CSCCN1Cc1cc(Cl)ccn1
InChIInChI=1S/C11H15ClN2S/c1-9-8-15-5-4-14(9)7-11-6-10(12)2-3-13-11/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyZWUDOMIWBKWZAD-UHFFFAOYSA-N
XLogP2.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(4-chloro-2-pyridinyl)methyl]-3-methylthiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-pyridinyl)methyl]-3-methylthiomorpholine?
The IUPAC name of 4-[(4-chloro-2-pyridinyl)methyl]-3-methylthiomorpholine (CID 79254901) is 4-[(4-chloro-2-pyridinyl)methyl]-3-methylthiomorpholine.
What is the SMILES notation for 4-[(4-chloro-2-pyridinyl)methyl]-3-methylthiomorpholine?
The canonical SMILES for 4-[(4-chloro-2-pyridinyl)methyl]-3-methylthiomorpholine is CC1CSCCN1Cc1cc(Cl)ccn1.
What is the InChIKey of 4-[(4-chloro-2-pyridinyl)methyl]-3-methylthiomorpholine?
The InChIKey is ZWUDOMIWBKWZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S/c1-9-8-15-5-4-14(9)7-11-6-10(12)2-3-13-11/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 4-[(4-chloro-2-pyridinyl)methyl]-3-methylthiomorpholine?
4-[(4-chloro-2-pyridinyl)methyl]-3-methylthiomorpholine has a molecular weight of 242.77 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-pyridinyl)methyl]-3-methylthiomorpholine is sourced from PubChem (CID 79254901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).