2-(cyclopropylmethylsulfanylmethyl)-4-methoxypyridine

C11H15NOS — CID 86795581

IUPAC2-(cyclopropylmethylsulfanylmethyl)-4-methoxypyridine
SMILESCOc1ccnc(CSCC2CC2)c1
InChIInChI=1S/C11H15NOS/c1-13-11-4-5-12-10(6-11)8-14-7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3
InChIKeyOTVHDNDIPRSJGV-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.73
Rot. Bonds5

About 2-(cyclopropylmethylsulfanylmethyl)-4-methoxypyridine

2-(cyclopropylmethylsulfanylmethyl)-4-methoxypyridine (PubChem CID 86795581) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfanylmethyl)-4-methoxypyridine.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfanylmethyl)-4-methoxypyridine
PubChem CID86795581
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-(cyclopropylmethylsulfanylmethyl)-4-methoxypyridine
SMILESCOc1ccnc(CSCC2CC2)c1
InChIInChI=1S/C11H15NOS/c1-13-11-4-5-12-10(6-11)8-14-7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3
InChIKeyOTVHDNDIPRSJGV-UHFFFAOYSA-N
XLogP2.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfanylmethyl)-4-methoxypyridine?
The IUPAC name of 2-(cyclopropylmethylsulfanylmethyl)-4-methoxypyridine (CID 86795581) is 2-(cyclopropylmethylsulfanylmethyl)-4-methoxypyridine.
What is the SMILES notation for 2-(cyclopropylmethylsulfanylmethyl)-4-methoxypyridine?
The canonical SMILES for 2-(cyclopropylmethylsulfanylmethyl)-4-methoxypyridine is COc1ccnc(CSCC2CC2)c1.
What is the InChIKey of 2-(cyclopropylmethylsulfanylmethyl)-4-methoxypyridine?
The InChIKey is OTVHDNDIPRSJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-13-11-4-5-12-10(6-11)8-14-7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of 2-(cyclopropylmethylsulfanylmethyl)-4-methoxypyridine?
2-(cyclopropylmethylsulfanylmethyl)-4-methoxypyridine has a molecular weight of 209.31 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfanylmethyl)-4-methoxypyridine is sourced from PubChem (CID 86795581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).