2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid

C10H14N2O2S — CID 83038185

IUPAC2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid
SMILESCCCC(Sc1ccc(N)cn1)C(=O)O
InChIInChI=1S/C10H14N2O2S/c1-2-3-8(10(13)14)15-9-5-4-7(11)6-12-9/h4-6,8H,2-3,11H2,1H3,(H,13,14)
InChIKeySVCVZBBJQUQXOA-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.01
Rot. Bonds5

About 2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid

2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid (PubChem CID 83038185) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid.

Molecular Properties

Compound Name2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid
PubChem CID83038185
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid
SMILESCCCC(Sc1ccc(N)cn1)C(=O)O
InChIInChI=1S/C10H14N2O2S/c1-2-3-8(10(13)14)15-9-5-4-7(11)6-12-9/h4-6,8H,2-3,11H2,1H3,(H,13,14)
InChIKeySVCVZBBJQUQXOA-UHFFFAOYSA-N
XLogP2.01
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-amino-2-pyridinyl)sulfanyl]butanoic acid
CID 61318641
2-pyrimidin-2-ylsulfanylpentanoic acid
CID 83038269
methyl 3-[(5-amino-2-pyridinyl)sulfanyl]butanoate
CID 61318239
2-pyridin-2-ylsulfanylpentanamide;hydrochloride
CID 21127939
2-(5-amino-2-pyridinyl)butanoic acid
CID 67099005
2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide
CID 63589205
3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide
CID 63590276
N-(5-amino-2-pyridinyl)-2-propylpentanamide
CID 82985458
2-(1-carboxybutylsulfanyl)benzoic acid
CID 71364453
1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol
CID 60885424
2-quinazolin-4-ylsulfanylpentanoic acid
CID 83038001
2-(pyridin-2-yldisulfanyl)pentanoic acid
CID 87433027

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid?
The IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid (CID 83038185) is 2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid.
What is the SMILES notation for 2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid?
The canonical SMILES for 2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid is CCCC(Sc1ccc(N)cn1)C(=O)O.
What is the InChIKey of 2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid?
The InChIKey is SVCVZBBJQUQXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-2-3-8(10(13)14)15-9-5-4-7(11)6-12-9/h4-6,8H,2-3,11H2,1H3,(H,13,14).
What are the key properties of 2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid?
2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid has a molecular weight of 226.30 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid is sourced from PubChem (CID 83038185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).