4-[2-[(2R)-butan-2-yl]sulfanylethyl]pyridine

C11H17NS — CID 92969622

IUPAC4-[2-[(2R)-butan-2-yl]sulfanylethyl]pyridine
SMILESCC[C@@H](C)SCCc1ccncc1
InChIInChI=1S/C11H17NS/c1-3-10(2)13-9-6-11-4-7-12-8-5-11/h4-5,7-8,10H,3,6,9H2,1-2H3/t10-/m1/s1
InChIKeyZUILQCLQZCJPRW-SNVBAGLBSA-N
MW195.33 g/mol
LogP3.16
Rot. Bonds5

About 4-[2-[(2R)-butan-2-yl]sulfanylethyl]pyridine

4-[2-[(2R)-butan-2-yl]sulfanylethyl]pyridine (PubChem CID 92969622) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 4-[2-[(2R)-butan-2-yl]sulfanylethyl]pyridine.

Molecular Properties

Compound Name4-[2-[(2R)-butan-2-yl]sulfanylethyl]pyridine
PubChem CID92969622
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name4-[2-[(2R)-butan-2-yl]sulfanylethyl]pyridine
SMILESCC[C@@H](C)SCCc1ccncc1
InChIInChI=1S/C11H17NS/c1-3-10(2)13-9-6-11-4-7-12-8-5-11/h4-5,7-8,10H,3,6,9H2,1-2H3/t10-/m1/s1
InChIKeyZUILQCLQZCJPRW-SNVBAGLBSA-N
XLogP3.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-butan-2-ylsulfanylethyl)pyridine;oxalate
CID 21155167
4-(2-ethylsulfanylethyl)pyridine
CID 2255980
ethane;4-(2-methylsulfanylethyl)pyridine
CID 166136938
4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine
CID 66231916
4-(2-methoxysulfanylethyl)pyridine
CID 144565327
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-(4-ethylsulfanylbutyl)pyridine
CID 173323988
4-(5-ethylsulfanylpentyl)pyridine
CID 91563138
4-pyridin-4-ylbutan-2-amine;hydrobromide
CID 122657673
4-(2-hydroperoxysulfanylethyl)pyridine
CID 58942791
N-(2-pyridin-4-ylethyl)butane-2-sulfonamide
CID 70596181

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-butan-2-yl]sulfanylethyl]pyridine?
The IUPAC name of 4-[2-[(2R)-butan-2-yl]sulfanylethyl]pyridine (CID 92969622) is 4-[2-[(2R)-butan-2-yl]sulfanylethyl]pyridine.
What is the SMILES notation for 4-[2-[(2R)-butan-2-yl]sulfanylethyl]pyridine?
The canonical SMILES for 4-[2-[(2R)-butan-2-yl]sulfanylethyl]pyridine is CC[C@@H](C)SCCc1ccncc1.
What is the InChIKey of 4-[2-[(2R)-butan-2-yl]sulfanylethyl]pyridine?
The InChIKey is ZUILQCLQZCJPRW-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17NS/c1-3-10(2)13-9-6-11-4-7-12-8-5-11/h4-5,7-8,10H,3,6,9H2,1-2H3/t10-/m1/s1.
What are the key properties of 4-[2-[(2R)-butan-2-yl]sulfanylethyl]pyridine?
4-[2-[(2R)-butan-2-yl]sulfanylethyl]pyridine has a molecular weight of 195.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-butan-2-yl]sulfanylethyl]pyridine is sourced from PubChem (CID 92969622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).