3-methylsulfanyl-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide

C12H18N2O2S — CID 86284386

IUPAC3-methylsulfanyl-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide
SMILESCSCCC(=O)NCCCn1ccccc1=O
InChIInChI=1S/C12H18N2O2S/c1-17-10-6-11(15)13-7-4-9-14-8-3-2-5-12(14)16/h2-3,5,8H,4,6-7,9-10H2,1H3,(H,13,15)
InChIKeyCGYSUBGXZHFFTN-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.11
Rot. Bonds7

About 3-methylsulfanyl-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide

3-methylsulfanyl-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide (PubChem CID 86284386) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide
PubChem CID86284386
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-methylsulfanyl-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide
SMILESCSCCC(=O)NCCCn1ccccc1=O
InChIInChI=1S/C12H18N2O2S/c1-17-10-6-11(15)13-7-4-9-14-8-3-2-5-12(14)16/h2-3,5,8H,4,6-7,9-10H2,1H3,(H,13,15)
InChIKeyCGYSUBGXZHFFTN-UHFFFAOYSA-N
XLogP1.11
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.11
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 3-methylsulfanyl-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide?
The IUPAC name of 3-methylsulfanyl-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide (CID 86284386) is 3-methylsulfanyl-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide?
The canonical SMILES for 3-methylsulfanyl-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide is CSCCC(=O)NCCCn1ccccc1=O.
What is the InChIKey of 3-methylsulfanyl-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide?
The InChIKey is CGYSUBGXZHFFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-17-10-6-11(15)13-7-4-9-14-8-3-2-5-12(14)16/h2-3,5,8H,4,6-7,9-10H2,1H3,(H,13,15).
What are the key properties of 3-methylsulfanyl-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide?
3-methylsulfanyl-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide has a molecular weight of 254.35 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[3-(2-oxo-1-pyridinyl)propyl]propanamide is sourced from PubChem (CID 86284386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).