[6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol

C11H17NOS — CID 107762118

IUPAC[6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol
SMILESCC(C)C(C)Sc1ccc(CO)cn1
InChIInChI=1S/C11H17NOS/c1-8(2)9(3)14-11-5-4-10(7-13)6-12-11/h4-6,8-9,13H,7H2,1-3H3
InChIKeyYVPDWUZQONEWPX-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.71
Rot. Bonds4

About [6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol

[6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol (PubChem CID 107762118) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is [6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol
PubChem CID107762118
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name[6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol
SMILESCC(C)C(C)Sc1ccc(CO)cn1
InChIInChI=1S/C11H17NOS/c1-8(2)9(3)14-11-5-4-10(7-13)6-12-11/h4-6,8-9,13H,7H2,1-3H3
InChIKeyYVPDWUZQONEWPX-UHFFFAOYSA-N
XLogP2.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 107754025
3-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]sulfanyl]butan-2-ol
CID 107772150
[6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol
CID 80651359
(6-pentylsulfanyl-3-pyridinyl)methanol
CID 107762041
[6-[(1S)-1-aminoethyl]-3-pyridinyl]methanol
CID 131171813
methyl 2-[[5-(hydroxymethyl)-2-pyridinyl]sulfanyl]acetate
CID 80650604
2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 20674333
[6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol
CID 80650862
[6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanol
CID 80651278
[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methanol
CID 61252794
ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 91356772
[6-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]methanol
CID 166375778

Frequently Asked Questions

What is the IUPAC name of [6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol?
The IUPAC name of [6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol (CID 107762118) is [6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol is CC(C)C(C)Sc1ccc(CO)cn1.
What is the InChIKey of [6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol?
The InChIKey is YVPDWUZQONEWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8(2)9(3)14-11-5-4-10(7-13)6-12-11/h4-6,8-9,13H,7H2,1-3H3.
What are the key properties of [6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol?
[6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol has a molecular weight of 211.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol is sourced from PubChem (CID 107762118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).