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'}

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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).