N-[3-[(5-methyl-2-pyridinyl)sulfonyl]propyl]acetamide

C11H16N2O3S — CID 75482740

IUPACN-[3-[(5-methyl-2-pyridinyl)sulfonyl]propyl]acetamide
SMILESCC(=O)NCCCS(=O)(=O)c1ccc(C)cn1
InChIInChI=1S/C11H16N2O3S/c1-9-4-5-11(13-8-9)17(15,16)7-3-6-12-10(2)14/h4-5,8H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyLQTRADKKCXVTNK-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.69
Rot. Bonds5

About N-[3-[(5-methyl-2-pyridinyl)sulfonyl]propyl]acetamide

N-[3-[(5-methyl-2-pyridinyl)sulfonyl]propyl]acetamide (PubChem CID 75482740) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[3-[(5-methyl-2-pyridinyl)sulfonyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(5-methyl-2-pyridinyl)sulfonyl]propyl]acetamide
PubChem CID75482740
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-[3-[(5-methyl-2-pyridinyl)sulfonyl]propyl]acetamide
SMILESCC(=O)NCCCS(=O)(=O)c1ccc(C)cn1
InChIInChI=1S/C11H16N2O3S/c1-9-4-5-11(13-8-9)17(15,16)7-3-6-12-10(2)14/h4-5,8H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyLQTRADKKCXVTNK-UHFFFAOYSA-N
XLogP0.69
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[(5-methyl-2-pyridinyl)sulfonyl]propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenylthio-N-(3-pyridylmethyl)acetamide
CID 800469
N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide
CID 57388872
ST4014630
CID 684061
N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide
CID 2303967
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 2342408
N-cyclohexyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2413718
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 5060029
2-(5-Piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide
CID 7759315
N,N-dimethyl-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide
CID 9533791
N-cyclopentyl-2-pyridin-2-ylsulfanylpropanamide
CID 16312597
2-(pyridin-2-ylsulfanyl)-N-(4-sulfamoylphenyl)acetamide
CID 647669
4,6,6-trimethyl-3-(pyridin-2-ylsulfanyl)-5,6-dihydropyridin-2(1H)-one
CID 658844

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methyl-2-pyridinyl)sulfonyl]propyl]acetamide?
The IUPAC name of N-[3-[(5-methyl-2-pyridinyl)sulfonyl]propyl]acetamide (CID 75482740) is N-[3-[(5-methyl-2-pyridinyl)sulfonyl]propyl]acetamide.
What is the SMILES notation for N-[3-[(5-methyl-2-pyridinyl)sulfonyl]propyl]acetamide?
The canonical SMILES for N-[3-[(5-methyl-2-pyridinyl)sulfonyl]propyl]acetamide is CC(=O)NCCCS(=O)(=O)c1ccc(C)cn1.
What is the InChIKey of N-[3-[(5-methyl-2-pyridinyl)sulfonyl]propyl]acetamide?
The InChIKey is LQTRADKKCXVTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-9-4-5-11(13-8-9)17(15,16)7-3-6-12-10(2)14/h4-5,8H,3,6-7H2,1-2H3,(H,12,14).
What are the key properties of N-[3-[(5-methyl-2-pyridinyl)sulfonyl]propyl]acetamide?
N-[3-[(5-methyl-2-pyridinyl)sulfonyl]propyl]acetamide has a molecular weight of 256.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-methyl-2-pyridinyl)sulfonyl]propyl]acetamide is sourced from PubChem (CID 75482740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).