4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine

C12H19NOS — CID 70847983

IUPAC4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine
SMILESCCOCCCSCCc1ccncc1
InChIInChI=1S/C12H19NOS/c1-2-14-9-3-10-15-11-6-12-4-7-13-8-5-12/h4-5,7-8H,2-3,6,9-11H2,1H3
InChIKeyWMWDJXXXVHPNSX-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.78
Rot. Bonds8

About 4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine

4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine (PubChem CID 70847983) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine
PubChem CID70847983
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine
SMILESCCOCCCSCCc1ccncc1
InChIInChI=1S/C12H19NOS/c1-2-14-9-3-10-15-11-6-12-4-7-13-8-5-12/h4-5,7-8H,2-3,6,9-11H2,1H3
InChIKeyWMWDJXXXVHPNSX-UHFFFAOYSA-N
XLogP2.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-pyridin-4-ylethylsulfanyl)propan-1-amine
CID 66219281
4-(2-ethylsulfanylethyl)pyridine
CID 2255980
4-(4-ethylsulfanylbutyl)pyridine
CID 173323988
4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine
CID 66231916
4-(5-ethylsulfanylpentyl)pyridine
CID 91563138
4-(2-methoxysulfanylethyl)pyridine
CID 144565327
3-(2-pyridin-4-ylethylsulfanyl)propanal
CID 142108413
ethane;4-(2-methylsulfanylethyl)pyridine
CID 166136938
2-(3-ethoxypropylsulfanyl)ethanamine
CID 65175244
4-(2-benzylsulfanylethyl)pyridine chloride
CID 5351696
6-ethoxyhexylbenzene
CID 54300935
3-(2-pyridin-4-ylethylsulfanyl)propanoate
CID 7047441

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine?
The IUPAC name of 4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine (CID 70847983) is 4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine.
What is the SMILES notation for 4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine?
The canonical SMILES for 4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine is CCOCCCSCCc1ccncc1.
What is the InChIKey of 4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine?
The InChIKey is WMWDJXXXVHPNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-14-9-3-10-15-11-6-12-4-7-13-8-5-12/h4-5,7-8H,2-3,6,9-11H2,1H3.
What are the key properties of 4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine?
4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine has a molecular weight of 225.36 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine is sourced from PubChem (CID 70847983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).