2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide

C12H19N3O3S — CID 61486701

IUPAC2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CS(=O)(=O)c1ncccc1N
InChIInChI=1S/C12H19N3O3S/c1-9(2)5-7-14-11(16)8-19(17,18)12-10(13)4-3-6-15-12/h3-4,6,9H,5,7-8,13H2,1-2H3,(H,14,16)
InChIKeyOJVDOZNJQYRNBP-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.60
Rot. Bonds6

About 2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide

2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide (PubChem CID 61486701) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide
PubChem CID61486701
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CS(=O)(=O)c1ncccc1N
InChIInChI=1S/C12H19N3O3S/c1-9(2)5-7-14-11(16)8-19(17,18)12-10(13)4-3-6-15-12/h3-4,6,9H,5,7-8,13H2,1-2H3,(H,14,16)
InChIKeyOJVDOZNJQYRNBP-UHFFFAOYSA-N
XLogP0.60
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-2-pyridinyl)sulfonyl]-N-pentan-2-ylacetamide
CID 61489654
2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide
CID 62113298
3-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide
CID 103305551
2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide
CID 81184216
2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide
CID 81191373
2-[(3-amino-2-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 103304775
3-amino-N-(4-methylpentan-2-yl)pyridine-2-sulfonamide
CID 103304535
2-(2-aminophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 61368377
3-[(3-amino-2-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 103307140
3-amino-N-propan-2-ylpyridine-2-sulfonamide
CID 103303655
2-[(3-amino-2-pyridinyl)sulfonyl]-N-(ethylcarbamoyl)propanamide
CID 61367269
2-[(3-amino-2-pyridinyl)sulfonyl]-N,N-diethylpropanamide
CID 61368040

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide (CID 61486701) is 2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CS(=O)(=O)c1ncccc1N.
What is the InChIKey of 2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide?
The InChIKey is OJVDOZNJQYRNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9(2)5-7-14-11(16)8-19(17,18)12-10(13)4-3-6-15-12/h3-4,6,9H,5,7-8,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide?
2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide has a molecular weight of 285.37 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 61486701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).