(1R)-1-(6-pentylsulfanyl-3-pyridinyl)ethanol

C12H19NOS — CID 107761980

IUPAC(1R)-1-(6-pentylsulfanyl-3-pyridinyl)ethanol
SMILESCCCCCSc1ccc([C@@H](C)O)cn1
InChIInChI=1S/C12H19NOS/c1-3-4-5-8-15-12-7-6-11(9-13-12)10(2)14/h6-7,9-10,14H,3-5,8H2,1-2H3/t10-/m1/s1
InChIKeyPEIVASYOGYLBOQ-SNVBAGLBSA-N
MW225.36 g/mol
LogP3.42
Rot. Bonds6

About (1R)-1-(6-pentylsulfanyl-3-pyridinyl)ethanol

(1R)-1-(6-pentylsulfanyl-3-pyridinyl)ethanol (PubChem CID 107761980) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is (1R)-1-(6-pentylsulfanyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(6-pentylsulfanyl-3-pyridinyl)ethanol
PubChem CID107761980
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name(1R)-1-(6-pentylsulfanyl-3-pyridinyl)ethanol
SMILESCCCCCSc1ccc([C@@H](C)O)cn1
InChIInChI=1S/C12H19NOS/c1-3-4-5-8-15-12-7-6-11(9-13-12)10(2)14/h6-7,9-10,14H,3-5,8H2,1-2H3/t10-/m1/s1
InChIKeyPEIVASYOGYLBOQ-SNVBAGLBSA-N
XLogP3.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.42
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

(1S)-1-(6-pentylsulfanyl-3-pyridinyl)ethanamine
CID 107750614
6-octylsulfanylpyridin-3-ol
CID 25140722
(6-pentylsulfanyl-3-pyridinyl)methanol
CID 107762041
6-octylsulfanylpyridin-3-amine
CID 43301414
1-(6-pentylsulfanyl-3-pyridinyl)ethanone
CID 107750422
2-butylsulfanyl-5-methylpyridine
CID 135224790
1-(5-pentylsulfanyl-2-pyridinyl)ethanol
CID 107761989
1-(6-ethyl-3-pyridinyl)ethanol
CID 88974864
2-(6-butylsulfanyl-3-pyridinyl)ethanamine
CID 80650800
(1S)-1-(4-octylphenyl)ethanol
CID 67859464
6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 43615811
1-(4-hexylsulfanyltriazol-1-yl)propan-2-ol
CID 70426491

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-pentylsulfanyl-3-pyridinyl)ethanol?
The IUPAC name of (1R)-1-(6-pentylsulfanyl-3-pyridinyl)ethanol (CID 107761980) is (1R)-1-(6-pentylsulfanyl-3-pyridinyl)ethanol.
What is the SMILES notation for (1R)-1-(6-pentylsulfanyl-3-pyridinyl)ethanol?
The canonical SMILES for (1R)-1-(6-pentylsulfanyl-3-pyridinyl)ethanol is CCCCCSc1ccc([C@@H](C)O)cn1.
What is the InChIKey of (1R)-1-(6-pentylsulfanyl-3-pyridinyl)ethanol?
The InChIKey is PEIVASYOGYLBOQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-4-5-8-15-12-7-6-11(9-13-12)10(2)14/h6-7,9-10,14H,3-5,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(6-pentylsulfanyl-3-pyridinyl)ethanol?
(1R)-1-(6-pentylsulfanyl-3-pyridinyl)ethanol has a molecular weight of 225.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-pentylsulfanyl-3-pyridinyl)ethanol is sourced from PubChem (CID 107761980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).