2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide

C11H17N3O2S — CID 107339670

IUPAC2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide
SMILESCS(=O)CCCNC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C11H17N3O2S/c1-17(16)6-2-5-13-11(15)7-10-4-3-9(12)8-14-10/h3-4,8H,2,5-7,12H2,1H3,(H,13,15)
InChIKeySMNXNPMMAONPQN-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.09
Rot. Bonds6

About 2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide

2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide (PubChem CID 107339670) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide
PubChem CID107339670
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide
SMILESCS(=O)CCCNC(=O)Cc1ccc(N)cn1
InChIInChI=1S/C11H17N3O2S/c1-17(16)6-2-5-13-11(15)7-10-4-3-9(12)8-14-10/h3-4,8H,2,5-7,12H2,1H3,(H,13,15)
InChIKeySMNXNPMMAONPQN-UHFFFAOYSA-N
XLogP0.09
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-pyridinyl)-N-octylacetamide
CID 107339440
2-(5-amino-2-pyridinyl)-N-(3-methoxypropyl)acetamide
CID 107337559
2-(5-amino-2-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 107337331
2-(5-amino-2-pyridinyl)-N-[3-(diethylamino)propyl]acetamide
CID 107337449
2-(5-amino-2-pyridinyl)-N-(2-butoxyethyl)acetamide
CID 107338236
2-(5-amino-2-pyridinyl)-N-[2-(N-methylanilino)ethyl]acetamide;dihydrochloride
CID 120640648
2-(5-amino-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 107339002
2-(5-amino-2-pyridinyl)-N-(2-cyclopropylethyl)acetamide;hydrochloride
CID 120633863
2-(5-amino-2-pyridinyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 107339726
2-(5-amino-2-pyridinyl)-N-[2-(3-methylbutoxy)ethyl]acetamide
CID 107338579
2-(5-amino-2-pyridinyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 107339282
2-(5-amino-2-pyridinyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 120642533

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide (CID 107339670) is 2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide is CS(=O)CCCNC(=O)Cc1ccc(N)cn1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide?
The InChIKey is SMNXNPMMAONPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-17(16)6-2-5-13-11(15)7-10-4-3-9(12)8-14-10/h3-4,8H,2,5-7,12H2,1H3,(H,13,15).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide?
2-(5-amino-2-pyridinyl)-N-(3-methylsulfinylpropyl)acetamide has a molecular weight of 255.34 g/mol, XLogP of 0.09, 6 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)-N-(3-methylsulfinylpropyl)acetamide is sourced from PubChem (CID 107339670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).