3-tert-butylsulfanyl-2-methyl-6-phenylmethoxypyridine

C17H21NOS — CID 102546175

IUPAC3-tert-butylsulfanyl-2-methyl-6-phenylmethoxypyridine
SMILESCc1nc(OCc2ccccc2)ccc1SC(C)(C)C
InChIInChI=1S/C17H21NOS/c1-13-15(20-17(2,3)4)10-11-16(18-13)19-12-14-8-6-5-7-9-14/h5-11H,12H2,1-4H3
InChIKeyFINZKBWYUXVSOY-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.86
Rot. Bonds4

About 3-tert-butylsulfanyl-2-methyl-6-phenylmethoxypyridine

3-tert-butylsulfanyl-2-methyl-6-phenylmethoxypyridine (PubChem CID 102546175) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 3-tert-butylsulfanyl-2-methyl-6-phenylmethoxypyridine.

Molecular Properties

Compound Name3-tert-butylsulfanyl-2-methyl-6-phenylmethoxypyridine
PubChem CID102546175
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name3-tert-butylsulfanyl-2-methyl-6-phenylmethoxypyridine
SMILESCc1nc(OCc2ccccc2)ccc1SC(C)(C)C
InChIInChI=1S/C17H21NOS/c1-13-15(20-17(2,3)4)10-11-16(18-13)19-12-14-8-6-5-7-9-14/h5-11H,12H2,1-4H3
InChIKeyFINZKBWYUXVSOY-UHFFFAOYSA-N
XLogP4.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-6-phenylmethoxy-3-pyridinyl)methanamine
CID 79885210
2-(2-methyl-6-phenylmethoxy-3-pyridinyl)ethanol
CID 102546176
4-(2-methyl-6-phenylmethoxy-3-pyridinyl)phenol
CID 170262262
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
2-fluoro-6-phenylmethoxypyridin-3-ol
CID 125115954
2-tert-butyl-5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine
CID 58088073
6-phenylmethoxypyridine-2,3-diamine
CID 67311804
2-[5-(2-methyl-6-phenylmethoxy-3-pyridinyl)-2-pyridinyl]ethanol
CID 170129555
2-methoxy-6-phenylmethoxypyridin-3-amine
CID 43261924
2-methyl-5-phenylmethoxypyrazine
CID 129054090
ethane;6-phenylmethoxypyridine-2,3-dicarboxylic acid
CID 91075341
1-(6-phenylmethoxy-3-pyridinyl)propan-2-amine
CID 71131754

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfanyl-2-methyl-6-phenylmethoxypyridine?
The IUPAC name of 3-tert-butylsulfanyl-2-methyl-6-phenylmethoxypyridine (CID 102546175) is 3-tert-butylsulfanyl-2-methyl-6-phenylmethoxypyridine.
What is the SMILES notation for 3-tert-butylsulfanyl-2-methyl-6-phenylmethoxypyridine?
The canonical SMILES for 3-tert-butylsulfanyl-2-methyl-6-phenylmethoxypyridine is Cc1nc(OCc2ccccc2)ccc1SC(C)(C)C.
What is the InChIKey of 3-tert-butylsulfanyl-2-methyl-6-phenylmethoxypyridine?
The InChIKey is FINZKBWYUXVSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-13-15(20-17(2,3)4)10-11-16(18-13)19-12-14-8-6-5-7-9-14/h5-11H,12H2,1-4H3.
What are the key properties of 3-tert-butylsulfanyl-2-methyl-6-phenylmethoxypyridine?
3-tert-butylsulfanyl-2-methyl-6-phenylmethoxypyridine has a molecular weight of 287.43 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfanyl-2-methyl-6-phenylmethoxypyridine is sourced from PubChem (CID 102546175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).