1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol

C13H21NOS — CID 102545043

IUPAC1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol
SMILESCCC(O)c1cnc(SC(C)(C)C)c(C)c1
InChIInChI=1S/C13H21NOS/c1-6-11(15)10-7-9(2)12(14-8-10)16-13(3,4)5/h7-8,11,15H,6H2,1-5H3
InChIKeyYRWMFUPAZFSFRV-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.72
Rot. Bonds3

About 1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol

1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol (PubChem CID 102545043) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol
PubChem CID102545043
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol
SMILESCCC(O)c1cnc(SC(C)(C)C)c(C)c1
InChIInChI=1S/C13H21NOS/c1-6-11(15)10-7-9(2)12(14-8-10)16-13(3,4)5/h7-8,11,15H,6H2,1-5H3
InChIKeyYRWMFUPAZFSFRV-UHFFFAOYSA-N
XLogP3.72
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol?
The IUPAC name of 1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol (CID 102545043) is 1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol.
What is the SMILES notation for 1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol?
The canonical SMILES for 1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol is CCC(O)c1cnc(SC(C)(C)C)c(C)c1.
What is the InChIKey of 1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol?
The InChIKey is YRWMFUPAZFSFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-6-11(15)10-7-9(2)12(14-8-10)16-13(3,4)5/h7-8,11,15H,6H2,1-5H3.
What are the key properties of 1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol?
1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 102545043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).