2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide

C12H19N3O3S — CID 62113298

IUPAC2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CS(=O)(=O)c1ccncc1N
InChIInChI=1S/C12H19N3O3S/c1-9(2)3-6-15-12(16)8-19(17,18)11-4-5-14-7-10(11)13/h4-5,7,9H,3,6,8,13H2,1-2H3,(H,15,16)
InChIKeyXDSMBTVBRAMSHP-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.60
Rot. Bonds6

About 2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide

2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide (PubChem CID 62113298) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide
PubChem CID62113298
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CS(=O)(=O)c1ccncc1N
InChIInChI=1S/C12H19N3O3S/c1-9(2)3-6-15-12(16)8-19(17,18)11-4-5-14-7-10(11)13/h4-5,7,9H,3,6,8,13H2,1-2H3,(H,15,16)
InChIKeyXDSMBTVBRAMSHP-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-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide
CID 81184216
2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide
CID 61486701
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide
CID 43299915
2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide
CID 81191373
2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide
CID 62575123
2-[(3-amino-4-pyridinyl)-methylamino]-N-(3-methylbutyl)propanamide
CID 61358058
2-(2-aminophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 61368377
4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine
CID 62112965
2-[(3-amino-4-pyridinyl)sulfonyl]-1-morpholin-4-ylethanone
CID 62113459
N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947636
4-(2-fluoroethylsulfonyl)pyridin-3-amine
CID 80694965
3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide
CID 110415591

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide (CID 62113298) is 2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CS(=O)(=O)c1ccncc1N.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide?
The InChIKey is XDSMBTVBRAMSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9(2)3-6-15-12(16)8-19(17,18)11-4-5-14-7-10(11)13/h4-5,7,9H,3,6,8,13H2,1-2H3,(H,15,16).
What are the key properties of 2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide?
2-[(3-amino-4-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-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 62113298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).