2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol

C11H17NO2S2 — CID 10658970

IUPAC2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol
SMILESCOc1c(C)cnc(CSSCCO)c1C
InChIInChI=1S/C11H17NO2S2/c1-8-6-12-10(7-16-15-5-4-13)9(2)11(8)14-3/h6,13H,4-5,7H2,1-3H3
InChIKeyKMOHWXCPKXRPFI-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.58
Rot. Bonds6

About 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol

2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol (PubChem CID 10658970) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol.

Molecular Properties

Compound Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol
PubChem CID10658970
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC Name2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol
SMILESCOc1c(C)cnc(CSSCCO)c1C
InChIInChI=1S/C11H17NO2S2/c1-8-6-12-10(7-16-15-5-4-13)9(2)11(8)14-3/h6,13H,4-5,7H2,1-3H3
InChIKeyKMOHWXCPKXRPFI-UHFFFAOYSA-N
XLogP2.58
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol 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 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol?
The IUPAC name of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol (CID 10658970) is 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol.
What is the SMILES notation for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol?
The canonical SMILES for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol is COc1c(C)cnc(CSSCCO)c1C.
What is the InChIKey of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol?
The InChIKey is KMOHWXCPKXRPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-8-6-12-10(7-16-15-5-4-13)9(2)11(8)14-3/h6,13H,4-5,7H2,1-3H3.
What are the key properties of 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol?
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol has a molecular weight of 259.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyldisulfanyl]ethanol is sourced from PubChem (CID 10658970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).