(R)-(6-benzylsulfanyl-5-methyl-3-pyridinyl)-phenylmethanol

C20H19NOS — CID 124501411

IUPAC(R)-(6-benzylsulfanyl-5-methyl-3-pyridinyl)-phenylmethanol
SMILESCc1cc([C@H](O)c2ccccc2)cnc1SCc1ccccc1
InChIInChI=1S/C20H19NOS/c1-15-12-18(19(22)17-10-6-3-7-11-17)13-21-20(15)23-14-16-8-4-2-5-9-16/h2-13,19,22H,14H2,1H3/t19-/m1/s1
InChIKeyNOYWRVRZQKIPDW-LJQANCHMSA-N
MW321.44 g/mol
LogP4.76
Rot. Bonds5

About (R)-(6-benzylsulfanyl-5-methyl-3-pyridinyl)-phenylmethanol

(R)-(6-benzylsulfanyl-5-methyl-3-pyridinyl)-phenylmethanol (PubChem CID 124501411) has the molecular formula C20H19NOS and a molecular weight of 321.44 g/mol. Its IUPAC name is (R)-(6-benzylsulfanyl-5-methyl-3-pyridinyl)-phenylmethanol.

Molecular Properties

Compound Name(R)-(6-benzylsulfanyl-5-methyl-3-pyridinyl)-phenylmethanol
PubChem CID124501411
Molecular FormulaC20H19NOS
Molecular Weight321.44 g/mol
Exact Mass321.12
IUPAC Name(R)-(6-benzylsulfanyl-5-methyl-3-pyridinyl)-phenylmethanol
SMILESCc1cc([C@H](O)c2ccccc2)cnc1SCc1ccccc1
InChIInChI=1S/C20H19NOS/c1-15-12-18(19(22)17-10-6-3-7-11-17)13-21-20(15)23-14-16-8-4-2-5-9-16/h2-13,19,22H,14H2,1H3/t19-/m1/s1
InChIKeyNOYWRVRZQKIPDW-LJQANCHMSA-N
XLogP4.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-6-methylsulfanyl-3-pyridinyl)-phenylmethanol
CID 102544534
2-benzylsulfanyl-3-methyl-5-nitropyridine
CID 67173438
(S)-[5-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol
CID 124501220
N-[(6-benzylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methoxyethanamine
CID 80628187
(S)-(6-methyl-3-pyridinyl)-phenylmethanol
CID 122230267
4-benzylsulfanyl-5-methylpyrimidin-2-amine
CID 80884331
(S)-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]-phenylmethanol
CID 124501657
(S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol
CID 124501542
5-benzylsulfanyl-2-chloro-4-fluoropyridine
CID 171096656
1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine
CID 102545480
2-benzylsulfanyl-5-bromo-4-methylpyridine
CID 99717832
2-benzylsulfanyl-5-methylpyridin-4-amine
CID 83269253

Frequently Asked Questions

What is the IUPAC name of (R)-(6-benzylsulfanyl-5-methyl-3-pyridinyl)-phenylmethanol?
The IUPAC name of (R)-(6-benzylsulfanyl-5-methyl-3-pyridinyl)-phenylmethanol (CID 124501411) is (R)-(6-benzylsulfanyl-5-methyl-3-pyridinyl)-phenylmethanol.
What is the SMILES notation for (R)-(6-benzylsulfanyl-5-methyl-3-pyridinyl)-phenylmethanol?
The canonical SMILES for (R)-(6-benzylsulfanyl-5-methyl-3-pyridinyl)-phenylmethanol is Cc1cc([C@H](O)c2ccccc2)cnc1SCc1ccccc1.
What is the InChIKey of (R)-(6-benzylsulfanyl-5-methyl-3-pyridinyl)-phenylmethanol?
The InChIKey is NOYWRVRZQKIPDW-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19NOS/c1-15-12-18(19(22)17-10-6-3-7-11-17)13-21-20(15)23-14-16-8-4-2-5-9-16/h2-13,19,22H,14H2,1H3/t19-/m1/s1.
What are the key properties of (R)-(6-benzylsulfanyl-5-methyl-3-pyridinyl)-phenylmethanol?
(R)-(6-benzylsulfanyl-5-methyl-3-pyridinyl)-phenylmethanol has a molecular weight of 321.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(6-benzylsulfanyl-5-methyl-3-pyridinyl)-phenylmethanol is sourced from PubChem (CID 124501411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).