(1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol

C11H17NOS — CID 83129606

IUPAC(1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol
SMILESCCC(C)Sc1ccc([C@@H](C)O)nc1
InChIInChI=1S/C11H17NOS/c1-4-8(2)14-10-5-6-11(9(3)13)12-7-10/h5-9,13H,4H2,1-3H3/t8?,9-/m1/s1
InChIKeyCAIQQDOTWNVGCA-YGPZHTELSA-N
MW211.33 g/mol
LogP3.03
Rot. Bonds4

About (1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol

(1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol (PubChem CID 83129606) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is (1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol
PubChem CID83129606
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name(1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol
SMILESCCC(C)Sc1ccc([C@@H](C)O)nc1
InChIInChI=1S/C11H17NOS/c1-4-8(2)14-10-5-6-11(9(3)13)12-7-10/h5-9,13H,4H2,1-3H3/t8?,9-/m1/s1
InChIKeyCAIQQDOTWNVGCA-YGPZHTELSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]sulfanyl]butan-2-ol
CID 107772342
(1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol
CID 83128388
3-[[6-[(1R)-1-aminopropyl]-3-pyridinyl]sulfanyl]butan-1-ol
CID 103938234
5-butan-2-ylsulfanylpyridine-2-carboxylic acid
CID 115491202
(1S)-1-(5-propan-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 103938158
1-(5-pentylsulfanyl-2-pyridinyl)ethanol
CID 107761989
(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol
CID 103939309
(1S)-1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol
CID 83129720
1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol
CID 83128205
3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol
CID 107770916
(1S)-1-[5-[(3,5-dimethylphenyl)methylsulfanyl]-2-pyridinyl]ethanol
CID 83129531
(1R)-1-[5-(1H-imidazol-2-ylsulfanyl)-2-pyridinyl]ethanol
CID 107783424

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol?
The IUPAC name of (1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol (CID 83129606) is (1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol.
What is the SMILES notation for (1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol?
The canonical SMILES for (1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol is CCC(C)Sc1ccc([C@@H](C)O)nc1.
What is the InChIKey of (1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol?
The InChIKey is CAIQQDOTWNVGCA-YGPZHTELSA-N. The full InChI is InChI=1S/C11H17NOS/c1-4-8(2)14-10-5-6-11(9(3)13)12-7-10/h5-9,13H,4H2,1-3H3/t8?,9-/m1/s1.
What are the key properties of (1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol?
(1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol has a molecular weight of 211.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol is sourced from PubChem (CID 83129606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).