2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine

C12H15NS — CID 10998160

IUPAC2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine
SMILESc1ccc(S[C@@H]2C[C@H]3CC[C@@H]2C3)nc1
InChIInChI=1S/C12H15NS/c1-2-6-13-12(3-1)14-11-8-9-4-5-10(11)7-9/h1-3,6,9-11H,4-5,7-8H2/t9-,10+,11+/m0/s1
InChIKeyREYMOWKNQOFFKZ-HBNTYKKESA-N
MW205.33 g/mol
LogP3.36
Rot. Bonds2

About 2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine

2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine (PubChem CID 10998160) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine.

Molecular Properties

Compound Name2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine
PubChem CID10998160
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine
SMILESc1ccc(S[C@@H]2C[C@H]3CC[C@@H]2C3)nc1
InChIInChI=1S/C12H15NS/c1-2-6-13-12(3-1)14-11-8-9-4-5-10(11)7-9/h1-3,6,9-11H,4-5,7-8H2/t9-,10+,11+/m0/s1
InChIKeyREYMOWKNQOFFKZ-HBNTYKKESA-N
XLogP3.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine?
The IUPAC name of 2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine (CID 10998160) is 2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine.
What is the SMILES notation for 2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine?
The canonical SMILES for 2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine is c1ccc(S[C@@H]2C[C@H]3CC[C@@H]2C3)nc1.
What is the InChIKey of 2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine?
The InChIKey is REYMOWKNQOFFKZ-HBNTYKKESA-N. The full InChI is InChI=1S/C12H15NS/c1-2-6-13-12(3-1)14-11-8-9-4-5-10(11)7-9/h1-3,6,9-11H,4-5,7-8H2/t9-,10+,11+/m0/s1.
What are the key properties of 2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine?
2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine has a molecular weight of 205.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine is sourced from PubChem (CID 10998160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).