3-[(6-methyl-3-pyridinyl)sulfanyl]hexan-1-ol

C12H19NOS — CID 154717239

IUPAC3-[(6-methyl-3-pyridinyl)sulfanyl]hexan-1-ol
SMILESCCCC(CCO)Sc1ccc(C)nc1
InChIInChI=1S/C12H19NOS/c1-3-4-11(7-8-14)15-12-6-5-10(2)13-9-12/h5-6,9,11,14H,3-4,7-8H2,1-2H3
InChIKeyMLPFDQIKVKIRLY-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.03
Rot. Bonds6

About 3-[(6-methyl-3-pyridinyl)sulfanyl]hexan-1-ol

3-[(6-methyl-3-pyridinyl)sulfanyl]hexan-1-ol (PubChem CID 154717239) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-[(6-methyl-3-pyridinyl)sulfanyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(6-methyl-3-pyridinyl)sulfanyl]hexan-1-ol
PubChem CID154717239
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name3-[(6-methyl-3-pyridinyl)sulfanyl]hexan-1-ol
SMILESCCCC(CCO)Sc1ccc(C)nc1
InChIInChI=1S/C12H19NOS/c1-3-4-11(7-8-14)15-12-6-5-10(2)13-9-12/h5-6,9,11,14H,3-4,7-8H2,1-2H3
InChIKeyMLPFDQIKVKIRLY-UHFFFAOYSA-N
XLogP3.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-3-pyridinyl)sulfanyl]hexan-1-ol?
The IUPAC name of 3-[(6-methyl-3-pyridinyl)sulfanyl]hexan-1-ol (CID 154717239) is 3-[(6-methyl-3-pyridinyl)sulfanyl]hexan-1-ol.
What is the SMILES notation for 3-[(6-methyl-3-pyridinyl)sulfanyl]hexan-1-ol?
The canonical SMILES for 3-[(6-methyl-3-pyridinyl)sulfanyl]hexan-1-ol is CCCC(CCO)Sc1ccc(C)nc1.
What is the InChIKey of 3-[(6-methyl-3-pyridinyl)sulfanyl]hexan-1-ol?
The InChIKey is MLPFDQIKVKIRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-4-11(7-8-14)15-12-6-5-10(2)13-9-12/h5-6,9,11,14H,3-4,7-8H2,1-2H3.
What are the key properties of 3-[(6-methyl-3-pyridinyl)sulfanyl]hexan-1-ol?
3-[(6-methyl-3-pyridinyl)sulfanyl]hexan-1-ol has a molecular weight of 225.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-3-pyridinyl)sulfanyl]hexan-1-ol is sourced from PubChem (CID 154717239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).