4-[(3-methyl-2-pyridinyl)methyl]thiolan-3-ol

C11H15NOS — CID 112651229

IUPAC4-[(3-methyl-2-pyridinyl)methyl]thiolan-3-ol
SMILESCc1cccnc1CC1CSCC1O
InChIInChI=1S/C11H15NOS/c1-8-3-2-4-12-10(8)5-9-6-14-7-11(9)13/h2-4,9,11,13H,5-7H2,1H3
InChIKeyCQVOLLCGFQDGRA-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.66
Rot. Bonds2

About 4-[(3-methyl-2-pyridinyl)methyl]thiolan-3-ol

4-[(3-methyl-2-pyridinyl)methyl]thiolan-3-ol (PubChem CID 112651229) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 4-[(3-methyl-2-pyridinyl)methyl]thiolan-3-ol.

Molecular Properties

Compound Name4-[(3-methyl-2-pyridinyl)methyl]thiolan-3-ol
PubChem CID112651229
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name4-[(3-methyl-2-pyridinyl)methyl]thiolan-3-ol
SMILESCc1cccnc1CC1CSCC1O
InChIInChI=1S/C11H15NOS/c1-8-3-2-4-12-10(8)5-9-6-14-7-11(9)13/h2-4,9,11,13H,5-7H2,1H3
InChIKeyCQVOLLCGFQDGRA-UHFFFAOYSA-N
XLogP1.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methyl-2-pyridinyl)methyl]cycloheptan-1-ol
CID 112651216
2-(cyclopropylmethyl)-3-methylpyridine
CID 130382074
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 154305051
3-methyl-2-(piperidin-2-ylmethyl)pyridine
CID 4715233
2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 63306112
trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol
CID 102733463
2-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine
CID 96849507
3-[(3-methyl-2-pyridinyl)methyl]azepane
CID 104680698
1-(2-methylcyclopropyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66460705
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-pyridinyl)methyl]thiolan-3-ol?
The IUPAC name of 4-[(3-methyl-2-pyridinyl)methyl]thiolan-3-ol (CID 112651229) is 4-[(3-methyl-2-pyridinyl)methyl]thiolan-3-ol.
What is the SMILES notation for 4-[(3-methyl-2-pyridinyl)methyl]thiolan-3-ol?
The canonical SMILES for 4-[(3-methyl-2-pyridinyl)methyl]thiolan-3-ol is Cc1cccnc1CC1CSCC1O.
What is the InChIKey of 4-[(3-methyl-2-pyridinyl)methyl]thiolan-3-ol?
The InChIKey is CQVOLLCGFQDGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8-3-2-4-12-10(8)5-9-6-14-7-11(9)13/h2-4,9,11,13H,5-7H2,1H3.
What are the key properties of 4-[(3-methyl-2-pyridinyl)methyl]thiolan-3-ol?
4-[(3-methyl-2-pyridinyl)methyl]thiolan-3-ol has a molecular weight of 209.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-pyridinyl)methyl]thiolan-3-ol is sourced from PubChem (CID 112651229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).