2-[(5-amino-3-pyridinyl)sulfonylamino]pentanoic acid

C10H15N3O4S — CID 82222840

IUPAC2-[(5-amino-3-pyridinyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1cncc(N)c1)C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-2-3-9(10(14)15)13-18(16,17)8-4-7(11)5-12-6-8/h4-6,9,13H,2-3,11H2,1H3,(H,14,15)
InChIKeyIIVTXNIEFWSRQK-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.20
Rot. Bonds6

About 2-[(5-amino-3-pyridinyl)sulfonylamino]pentanoic acid

2-[(5-amino-3-pyridinyl)sulfonylamino]pentanoic acid (PubChem CID 82222840) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[(5-amino-3-pyridinyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-amino-3-pyridinyl)sulfonylamino]pentanoic acid
PubChem CID82222840
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name2-[(5-amino-3-pyridinyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1cncc(N)c1)C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-2-3-9(10(14)15)13-18(16,17)8-4-7(11)5-12-6-8/h4-6,9,13H,2-3,11H2,1H3,(H,14,15)
InChIKeyIIVTXNIEFWSRQK-UHFFFAOYSA-N
XLogP0.20
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid
CID 82222841
(2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid
CID 104935414
(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 93252465
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
CID 93252503
2-[(3,5-dimethylphenyl)sulfonylamino]hexanoic acid
CID 60640613
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
(2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid
CID 104935403
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
2-[(3-ethoxycarbonyl-4-methylphenyl)sulfonylamino]pentanoic acid
CID 120968689
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 93252469
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
2-[(3,5-dimethylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244974

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-pyridinyl)sulfonylamino]pentanoic acid?
The IUPAC name of 2-[(5-amino-3-pyridinyl)sulfonylamino]pentanoic acid (CID 82222840) is 2-[(5-amino-3-pyridinyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 2-[(5-amino-3-pyridinyl)sulfonylamino]pentanoic acid?
The canonical SMILES for 2-[(5-amino-3-pyridinyl)sulfonylamino]pentanoic acid is CCCC(NS(=O)(=O)c1cncc(N)c1)C(=O)O.
What is the InChIKey of 2-[(5-amino-3-pyridinyl)sulfonylamino]pentanoic acid?
The InChIKey is IIVTXNIEFWSRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-2-3-9(10(14)15)13-18(16,17)8-4-7(11)5-12-6-8/h4-6,9,13H,2-3,11H2,1H3,(H,14,15).
What are the key properties of 2-[(5-amino-3-pyridinyl)sulfonylamino]pentanoic acid?
2-[(5-amino-3-pyridinyl)sulfonylamino]pentanoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-pyridinyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 82222840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).