(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol

C12H19NOS — CID 103939309

IUPAC(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol
SMILESCC[C@H](O)c1ccc(SC(C)(C)C)cn1
InChIInChI=1S/C12H19NOS/c1-5-11(14)10-7-6-9(8-13-10)15-12(2,3)4/h6-8,11,14H,5H2,1-4H3/t11-/m0/s1
InChIKeyKZGLGNBVJUSBLR-NSHDSACASA-N
MW225.36 g/mol
LogP3.42
Rot. Bonds3

About (1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol

(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol (PubChem CID 103939309) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is (1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol
PubChem CID103939309
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol
SMILESCC[C@H](O)c1ccc(SC(C)(C)C)cn1
InChIInChI=1S/C12H19NOS/c1-5-11(14)10-7-6-9(8-13-10)15-12(2,3)4/h6-8,11,14H,5H2,1-4H3/t11-/m0/s1
InChIKeyKZGLGNBVJUSBLR-NSHDSACASA-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-(5-tert-butylsulfanyl-2-pyridinyl)ethanamine
CID 83124206
(1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol
CID 113355448
(1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355459
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355452
(1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol
CID 83128388
(1S)-1-[5-(5-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355485
2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-N,N-dimethylacetamide
CID 114234906
1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586568
1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586531
(1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 103939372
(1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol
CID 103939422
(1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol
CID 124503049

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol?
The IUPAC name of (1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol (CID 103939309) is (1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol.
What is the SMILES notation for (1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol?
The canonical SMILES for (1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol is CC[C@H](O)c1ccc(SC(C)(C)C)cn1.
What is the InChIKey of (1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol?
The InChIKey is KZGLGNBVJUSBLR-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NOS/c1-5-11(14)10-7-6-9(8-13-10)15-12(2,3)4/h6-8,11,14H,5H2,1-4H3/t11-/m0/s1.
What are the key properties of (1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol?
(1S)-1-(5-tert-butylsulfanyl-2-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-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 103939309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).