N-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide

C13H18N2O3S — CID 126830880

IUPACN-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
SMILESCSc1cncc(NC(=O)COCC2CCCO2)c1
InChIInChI=1S/C13H18N2O3S/c1-19-12-5-10(6-14-7-12)15-13(16)9-17-8-11-3-2-4-18-11/h5-7,11H,2-4,8-9H2,1H3,(H,15,16)
InChIKeyXTWTXGAINFDPAQ-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.94
Rot. Bonds6

About N-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide

N-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 126830880) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID126830880
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
SMILESCSc1cncc(NC(=O)COCC2CCCO2)c1
InChIInChI=1S/C13H18N2O3S/c1-19-12-5-10(6-14-7-12)15-13(16)9-17-8-11-3-2-4-18-11/h5-7,11H,2-4,8-9H2,1H3,(H,15,16)
InChIKeyXTWTXGAINFDPAQ-UHFFFAOYSA-N
XLogP1.94
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615
N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56785834
methyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 126831946
N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868489
N-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 96570205
N-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-2-(oxan-2-ylmethoxy)acetamide
CID 156587035
2-(oxolan-2-ylmethoxy)-N-(1,2-thiazol-5-yl)acetamide
CID 126829996
2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95935311
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868384

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide (CID 126830880) is N-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide is CSc1cncc(NC(=O)COCC2CCCO2)c1.
What is the InChIKey of N-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is XTWTXGAINFDPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-19-12-5-10(6-14-7-12)15-13(16)9-17-8-11-3-2-4-18-11/h5-7,11H,2-4,8-9H2,1H3,(H,15,16).
What are the key properties of N-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide?
N-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 282.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 126830880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).