(6-pentylsulfanyl-3-pyridinyl)methanol

C11H17NOS — CID 107762041

IUPAC(6-pentylsulfanyl-3-pyridinyl)methanol
SMILESCCCCCSc1ccc(CO)cn1
InChIInChI=1S/C11H17NOS/c1-2-3-4-7-14-11-6-5-10(9-13)8-12-11/h5-6,8,13H,2-4,7,9H2,1H3
InChIKeyZZGBYSUPIOEMFN-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.86
Rot. Bonds6

About (6-pentylsulfanyl-3-pyridinyl)methanol

(6-pentylsulfanyl-3-pyridinyl)methanol (PubChem CID 107762041) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is (6-pentylsulfanyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(6-pentylsulfanyl-3-pyridinyl)methanol
PubChem CID107762041
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name(6-pentylsulfanyl-3-pyridinyl)methanol
SMILESCCCCCSc1ccc(CO)cn1
InChIInChI=1S/C11H17NOS/c1-2-3-4-7-14-11-6-5-10(9-13)8-12-11/h5-6,8,13H,2-4,7,9H2,1H3
InChIKeyZZGBYSUPIOEMFN-UHFFFAOYSA-N
XLogP2.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-octylsulfanylpyridin-3-ol
CID 25140722
2-(6-butylsulfanyl-3-pyridinyl)ethanamine
CID 80650800
(1R)-1-(6-pentylsulfanyl-3-pyridinyl)ethanol
CID 107761980
6-octylsulfanylpyridin-3-amine
CID 43301414
1-(6-pentylsulfanyl-3-pyridinyl)ethanone
CID 107750422
(1S)-1-(6-pentylsulfanyl-3-pyridinyl)ethanamine
CID 107750614
2-butylsulfanyl-5-methylpyridine
CID 135224790
N-[2-(4-hydroxyphenyl)ethyl]-6-octylsulfanylpyridine-3-carboxamide
CID 139995770
methyl 2-[[5-(hydroxymethyl)-2-pyridinyl]sulfanyl]acetate
CID 80650604
6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 43615811
[6-(3-methylbutan-2-ylsulfanyl)-3-pyridinyl]methanol
CID 107762118
(3-chloro-4-pentylsulfanylphenyl)methanol
CID 107762038

Frequently Asked Questions

What is the IUPAC name of (6-pentylsulfanyl-3-pyridinyl)methanol?
The IUPAC name of (6-pentylsulfanyl-3-pyridinyl)methanol (CID 107762041) is (6-pentylsulfanyl-3-pyridinyl)methanol.
What is the SMILES notation for (6-pentylsulfanyl-3-pyridinyl)methanol?
The canonical SMILES for (6-pentylsulfanyl-3-pyridinyl)methanol is CCCCCSc1ccc(CO)cn1.
What is the InChIKey of (6-pentylsulfanyl-3-pyridinyl)methanol?
The InChIKey is ZZGBYSUPIOEMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-2-3-4-7-14-11-6-5-10(9-13)8-12-11/h5-6,8,13H,2-4,7,9H2,1H3.
What are the key properties of (6-pentylsulfanyl-3-pyridinyl)methanol?
(6-pentylsulfanyl-3-pyridinyl)methanol has a molecular weight of 211.33 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-pentylsulfanyl-3-pyridinyl)methanol is sourced from PubChem (CID 107762041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).