[2-(2,2-dimethylpropylsulfanyl)-3-pyridinyl]methanol

C11H17NOS — CID 71425302

IUPAC[2-(2,2-dimethylpropylsulfanyl)-3-pyridinyl]methanol
SMILESCC(C)(C)CSc1ncccc1CO
InChIInChI=1S/C11H17NOS/c1-11(2,3)8-14-10-9(7-13)5-4-6-12-10/h4-6,13H,7-8H2,1-3H3
InChIKeyBFBCAMHDFDREGK-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.71
Rot. Bonds3

About [2-(2,2-dimethylpropylsulfanyl)-3-pyridinyl]methanol

[2-(2,2-dimethylpropylsulfanyl)-3-pyridinyl]methanol (PubChem CID 71425302) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is [2-(2,2-dimethylpropylsulfanyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(2,2-dimethylpropylsulfanyl)-3-pyridinyl]methanol
PubChem CID71425302
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name[2-(2,2-dimethylpropylsulfanyl)-3-pyridinyl]methanol
SMILESCC(C)(C)CSc1ncccc1CO
InChIInChI=1S/C11H17NOS/c1-11(2,3)8-14-10-9(7-13)5-4-6-12-10/h4-6,13H,7-8H2,1-3H3
InChIKeyBFBCAMHDFDREGK-UHFFFAOYSA-N
XLogP2.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylpropylsulfanyl)-3-pyridinyl]methanol?
The IUPAC name of [2-(2,2-dimethylpropylsulfanyl)-3-pyridinyl]methanol (CID 71425302) is [2-(2,2-dimethylpropylsulfanyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(2,2-dimethylpropylsulfanyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-(2,2-dimethylpropylsulfanyl)-3-pyridinyl]methanol is CC(C)(C)CSc1ncccc1CO.
What is the InChIKey of [2-(2,2-dimethylpropylsulfanyl)-3-pyridinyl]methanol?
The InChIKey is BFBCAMHDFDREGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-11(2,3)8-14-10-9(7-13)5-4-6-12-10/h4-6,13H,7-8H2,1-3H3.
What are the key properties of [2-(2,2-dimethylpropylsulfanyl)-3-pyridinyl]methanol?
[2-(2,2-dimethylpropylsulfanyl)-3-pyridinyl]methanol has a molecular weight of 211.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpropylsulfanyl)-3-pyridinyl]methanol is sourced from PubChem (CID 71425302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).