2-(cyclopropylmethylsulfinyl)pyridine

C9H11NOS — CID 66803349

IUPAC2-(cyclopropylmethylsulfinyl)pyridine
SMILESO=S(CC1CC1)c1ccccn1
InChIInChI=1S/C9H11NOS/c11-12(7-8-4-5-8)9-3-1-2-6-10-9/h1-3,6,8H,4-5,7H2
InChIKeyWJNHJBPWMJEXME-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.60
Rot. Bonds3

About 2-(cyclopropylmethylsulfinyl)pyridine

2-(cyclopropylmethylsulfinyl)pyridine (PubChem CID 66803349) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfinyl)pyridine.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfinyl)pyridine
PubChem CID66803349
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name2-(cyclopropylmethylsulfinyl)pyridine
SMILESO=S(CC1CC1)c1ccccn1
InChIInChI=1S/C9H11NOS/c11-12(7-8-4-5-8)9-3-1-2-6-10-9/h1-3,6,8H,4-5,7H2
InChIKeyWJNHJBPWMJEXME-UHFFFAOYSA-N
XLogP1.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfinyl)pyridine?
The IUPAC name of 2-(cyclopropylmethylsulfinyl)pyridine (CID 66803349) is 2-(cyclopropylmethylsulfinyl)pyridine.
What is the SMILES notation for 2-(cyclopropylmethylsulfinyl)pyridine?
The canonical SMILES for 2-(cyclopropylmethylsulfinyl)pyridine is O=S(CC1CC1)c1ccccn1.
What is the InChIKey of 2-(cyclopropylmethylsulfinyl)pyridine?
The InChIKey is WJNHJBPWMJEXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c11-12(7-8-4-5-8)9-3-1-2-6-10-9/h1-3,6,8H,4-5,7H2.
What are the key properties of 2-(cyclopropylmethylsulfinyl)pyridine?
2-(cyclopropylmethylsulfinyl)pyridine has a molecular weight of 181.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfinyl)pyridine is sourced from PubChem (CID 66803349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).