(1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol

C12H19NOS — CID 124503049

IUPAC(1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol
SMILESCC[C@H](O)c1ccc(SC(C)(C)C)nc1
InChIInChI=1S/C12H19NOS/c1-5-10(14)9-6-7-11(13-8-9)15-12(2,3)4/h6-8,10,14H,5H2,1-4H3/t10-/m0/s1
InChIKeyUFZMKZMIMXCFIP-JTQLQIEISA-N
MW225.36 g/mol
LogP3.42
Rot. Bonds3

About (1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol

(1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol (PubChem CID 124503049) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is (1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol
PubChem CID124503049
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name(1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol
SMILESCC[C@H](O)c1ccc(SC(C)(C)C)nc1
InChIInChI=1S/C12H19NOS/c1-5-10(14)9-6-7-11(13-8-9)15-12(2,3)4/h6-8,10,14H,5H2,1-4H3/t10-/m0/s1
InChIKeyUFZMKZMIMXCFIP-JTQLQIEISA-N
XLogP3.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol
CID 102546555
(1R)-1-(6-phenylsulfanyl-3-pyridinyl)propan-1-ol
CID 124502785
1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol
CID 10849809
(1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol
CID 124503041
1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol
CID 102545043
(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol
CID 103939309
2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol
CID 102546908
N-[(6-tert-butylsulfanyl-3-pyridinyl)methylidene]hydroxylamine
CID 131847200
2,5-bis(tert-butylsulfanyl)pyrazine
CID 121007849
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
N-[5-[(1S)-1-hydroxypropyl]-2-pyridinyl]acetamide
CID 54369170
N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 80639274

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol?
The IUPAC name of (1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol (CID 124503049) is (1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol.
What is the SMILES notation for (1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol?
The canonical SMILES for (1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol is CC[C@H](O)c1ccc(SC(C)(C)C)nc1.
What is the InChIKey of (1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol?
The InChIKey is UFZMKZMIMXCFIP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NOS/c1-5-10(14)9-6-7-11(13-8-9)15-12(2,3)4/h6-8,10,14H,5H2,1-4H3/t10-/m0/s1.
What are the key properties of (1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol?
(1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol has a molecular weight of 225.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 124503049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).