3,4-dimethoxy-2-[2-(oxolan-2-ylmethoxy)ethylsulfanylmethyl]pyridine

C15H23NO4S — CID 154862410

IUPAC3,4-dimethoxy-2-[2-(oxolan-2-ylmethoxy)ethylsulfanylmethyl]pyridine
SMILESCOc1ccnc(CSCCOCC2CCCO2)c1OC
InChIInChI=1S/C15H23NO4S/c1-17-14-5-6-16-13(15(14)18-2)11-21-9-8-19-10-12-4-3-7-20-12/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyRNLATWGAKRFPTQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.53
Rot. Bonds9

About 3,4-dimethoxy-2-[2-(oxolan-2-ylmethoxy)ethylsulfanylmethyl]pyridine

3,4-dimethoxy-2-[2-(oxolan-2-ylmethoxy)ethylsulfanylmethyl]pyridine (PubChem CID 154862410) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3,4-dimethoxy-2-[2-(oxolan-2-ylmethoxy)ethylsulfanylmethyl]pyridine.

Molecular Properties

Compound Name3,4-dimethoxy-2-[2-(oxolan-2-ylmethoxy)ethylsulfanylmethyl]pyridine
PubChem CID154862410
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name3,4-dimethoxy-2-[2-(oxolan-2-ylmethoxy)ethylsulfanylmethyl]pyridine
SMILESCOc1ccnc(CSCCOCC2CCCO2)c1OC
InChIInChI=1S/C15H23NO4S/c1-17-14-5-6-16-13(15(14)18-2)11-21-9-8-19-10-12-4-3-7-20-12/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyRNLATWGAKRFPTQ-UHFFFAOYSA-N
XLogP2.53
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,4-dimethoxy-2-[2-(oxolan-2-ylmethoxy)ethylsulfanylmethyl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]ethylsulfanylmethyl]-3,4-dimethoxypyridine
CID 176896429
2-[2-(cyclohexen-1-yl)ethylsulfanylmethyl]-3,4-dimethoxypyridine
CID 154876645
4-methoxy-N-[2-(oxolan-2-ylmethoxy)ethyl]pyrimidin-2-amine
CID 133315051
1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111409393
2-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-4-yl]oxan-3-amine
CID 138033013
[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43471574
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111409233
1-ethyl-3-[3-(oxolan-2-ylmethoxy)propyl]-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine
CID 111408743
2-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60905797
4-[2-(oxolan-2-ylmethoxy)ethylsulfanyl]-2H-triazole
CID 75495099
2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111788852

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2-[2-(oxolan-2-ylmethoxy)ethylsulfanylmethyl]pyridine?
The IUPAC name of 3,4-dimethoxy-2-[2-(oxolan-2-ylmethoxy)ethylsulfanylmethyl]pyridine (CID 154862410) is 3,4-dimethoxy-2-[2-(oxolan-2-ylmethoxy)ethylsulfanylmethyl]pyridine.
What is the SMILES notation for 3,4-dimethoxy-2-[2-(oxolan-2-ylmethoxy)ethylsulfanylmethyl]pyridine?
The canonical SMILES for 3,4-dimethoxy-2-[2-(oxolan-2-ylmethoxy)ethylsulfanylmethyl]pyridine is COc1ccnc(CSCCOCC2CCCO2)c1OC.
What is the InChIKey of 3,4-dimethoxy-2-[2-(oxolan-2-ylmethoxy)ethylsulfanylmethyl]pyridine?
The InChIKey is RNLATWGAKRFPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-17-14-5-6-16-13(15(14)18-2)11-21-9-8-19-10-12-4-3-7-20-12/h5-6,12H,3-4,7-11H2,1-2H3.
What are the key properties of 3,4-dimethoxy-2-[2-(oxolan-2-ylmethoxy)ethylsulfanylmethyl]pyridine?
3,4-dimethoxy-2-[2-(oxolan-2-ylmethoxy)ethylsulfanylmethyl]pyridine has a molecular weight of 313.42 g/mol, XLogP of 2.53, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2-[2-(oxolan-2-ylmethoxy)ethylsulfanylmethyl]pyridine is sourced from PubChem (CID 154862410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).