2-(pyridin-2-yldisulfanyl)pentanoic acid

C10H13NO2S2 — CID 87433027

IUPAC2-(pyridin-2-yldisulfanyl)pentanoic acid
SMILESCCCC(SSc1ccccn1)C(=O)O
InChIInChI=1S/C10H13NO2S2/c1-2-5-8(10(12)13)14-15-9-6-3-4-7-11-9/h3-4,6-8H,2,5H2,1H3,(H,12,13)
InChIKeyMFWQTSHISAKOJX-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.08
Rot. Bonds6

About 2-(pyridin-2-yldisulfanyl)pentanoic acid

2-(pyridin-2-yldisulfanyl)pentanoic acid (PubChem CID 87433027) has the molecular formula C10H13NO2S2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(pyridin-2-yldisulfanyl)pentanoic acid.

Molecular Properties

Compound Name2-(pyridin-2-yldisulfanyl)pentanoic acid
PubChem CID87433027
Molecular FormulaC10H13NO2S2
Molecular Weight243.35 g/mol
Exact Mass243.04
IUPAC Name2-(pyridin-2-yldisulfanyl)pentanoic acid
SMILESCCCC(SSc1ccccn1)C(=O)O
InChIInChI=1S/C10H13NO2S2/c1-2-5-8(10(12)13)14-15-9-6-3-4-7-11-9/h3-4,6-8H,2,5H2,1H3,(H,12,13)
InChIKeyMFWQTSHISAKOJX-UHFFFAOYSA-N
XLogP3.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(pyridin-2-yldisulfanyl)butyl carbonochloridate
CID 87479976
2-pyridin-2-ylsulfanylpentanamide;hydrochloride
CID 21127939
2-pyrimidin-2-ylsulfanylpentanoic acid
CID 83038269
N-butyl-2-pyridin-2-ylsulfanylpentanamide
CID 14921565
2-(1-phenylbutylsulfanyl)pyridine
CID 22764663
2-(pyridin-2-yldisulfanyl)propyl carbamate
CID 141443220
2-ethyl-2-pyridin-2-ylsulfanylbutanoic acid
CID 114987627
1-(pyridin-2-yldisulfanyl)propan-2-one
CID 88565959
2-pyridin-2-ylsulfanylbutanamide
CID 21127936
N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46810322
2-pyridin-2-yloxypentanoic acid
CID 69474855
2-(2,5-dihydroxypyrrol-1-yl)-4-(pyridin-2-yldisulfanyl)butanoic acid
CID 90908564

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-yldisulfanyl)pentanoic acid?
The IUPAC name of 2-(pyridin-2-yldisulfanyl)pentanoic acid (CID 87433027) is 2-(pyridin-2-yldisulfanyl)pentanoic acid.
What is the SMILES notation for 2-(pyridin-2-yldisulfanyl)pentanoic acid?
The canonical SMILES for 2-(pyridin-2-yldisulfanyl)pentanoic acid is CCCC(SSc1ccccn1)C(=O)O.
What is the InChIKey of 2-(pyridin-2-yldisulfanyl)pentanoic acid?
The InChIKey is MFWQTSHISAKOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S2/c1-2-5-8(10(12)13)14-15-9-6-3-4-7-11-9/h3-4,6-8H,2,5H2,1H3,(H,12,13).
What are the key properties of 2-(pyridin-2-yldisulfanyl)pentanoic acid?
2-(pyridin-2-yldisulfanyl)pentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-yldisulfanyl)pentanoic acid is sourced from PubChem (CID 87433027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).