5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol

C11H17NOS — CID 103089755

IUPAC5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol
SMILESCSCCCC(O)Cc1cccnc1
InChIInChI=1S/C11H17NOS/c1-14-7-3-5-11(13)8-10-4-2-6-12-9-10/h2,4,6,9,11,13H,3,5,7-8H2,1H3
InChIKeyKGLPMMHHGDVFRQ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.13
Rot. Bonds6

About 5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol

5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol (PubChem CID 103089755) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol.

Molecular Properties

Compound Name5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol
PubChem CID103089755
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol
SMILESCSCCCC(O)Cc1cccnc1
InChIInChI=1S/C11H17NOS/c1-14-7-3-5-11(13)8-10-4-2-6-12-9-10/h2,4,6,9,11,13H,3,5,7-8H2,1H3
InChIKeyKGLPMMHHGDVFRQ-UHFFFAOYSA-N
XLogP2.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-3-ylpentan-2-ol
CID 62553061
4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol
CID 114998518
1-(3-bromophenyl)-5-methylsulfanylpentan-2-ol
CID 103089773
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
4-propoxy-1-pyridin-3-ylbutan-2-ol
CID 105125026
1-pyridin-3-yl-5-thiophen-2-ylpentan-2-ol
CID 105125071
1-(dimethylamino)-3-pyridin-3-ylpropan-2-ol
CID 104736153
1-(3,4-dichlorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089799
1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol
CID 115832186
3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28671888
(2R)-2-hydroxy-N-methyl-4-methylsulfanyl-N-(pyridin-3-ylmethyl)butanamide
CID 99970741
1-(2,6-dichlorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089720

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol?
The IUPAC name of 5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol (CID 103089755) is 5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol.
What is the SMILES notation for 5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol?
The canonical SMILES for 5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol is CSCCCC(O)Cc1cccnc1.
What is the InChIKey of 5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol?
The InChIKey is KGLPMMHHGDVFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-14-7-3-5-11(13)8-10-4-2-6-12-9-10/h2,4,6,9,11,13H,3,5,7-8H2,1H3.
What are the key properties of 5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol?
5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol has a molecular weight of 211.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol is sourced from PubChem (CID 103089755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).