4-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]pyridine

C14H23NOS — CID 159182787

IUPAC4-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]pyridine
SMILESCCCC(C[S@@](=O)C(C)(C)C)c1ccncc1
InChIInChI=1S/C14H23NOS/c1-5-6-13(11-17(16)14(2,3)4)12-7-9-15-10-8-12/h7-10,13H,5-6,11H2,1-4H3/t13?,17-/m1/s1
InChIKeyKNCMQMHBAQZKKE-LRHAYUFXSA-N
MW253.41 g/mol
LogP3.51
Rot. Bonds5

About 4-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]pyridine

4-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]pyridine (PubChem CID 159182787) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 4-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]pyridine
PubChem CID159182787
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name4-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]pyridine
SMILESCCCC(C[S@@](=O)C(C)(C)C)c1ccncc1
InChIInChI=1S/C14H23NOS/c1-5-6-13(11-17(16)14(2,3)4)12-7-9-15-10-8-12/h7-10,13H,5-6,11H2,1-4H3/t13?,17-/m1/s1
InChIKeyKNCMQMHBAQZKKE-LRHAYUFXSA-N
XLogP3.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]pyridine?
The IUPAC name of 4-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]pyridine (CID 159182787) is 4-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]pyridine.
What is the SMILES notation for 4-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]pyridine?
The canonical SMILES for 4-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]pyridine is CCCC(C[S@@](=O)C(C)(C)C)c1ccncc1.
What is the InChIKey of 4-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]pyridine?
The InChIKey is KNCMQMHBAQZKKE-LRHAYUFXSA-N. The full InChI is InChI=1S/C14H23NOS/c1-5-6-13(11-17(16)14(2,3)4)12-7-9-15-10-8-12/h7-10,13H,5-6,11H2,1-4H3/t13?,17-/m1/s1.
What are the key properties of 4-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]pyridine?
4-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]pyridine has a molecular weight of 253.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(R)-tert-butylsulfinyl]pentan-2-yl]pyridine is sourced from PubChem (CID 159182787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).