N-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide

C13H18N2OS — CID 47095628

IUPACN-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide
SMILESC=C(C)CN(CC)C(=O)CSc1ccccn1
InChIInChI=1S/C13H18N2OS/c1-4-15(9-11(2)3)13(16)10-17-12-7-5-6-8-14-12/h5-8H,2,4,9-10H2,1,3H3
InChIKeyQWCWULKTVSNVAZ-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.60
Rot. Bonds6

About N-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide

N-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 47095628) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID47095628
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide
SMILESC=C(C)CN(CC)C(=O)CSc1ccccn1
InChIInChI=1S/C13H18N2OS/c1-4-15(9-11(2)3)13(16)10-17-12-7-5-6-8-14-12/h5-8H,2,4,9-10H2,1,3H3
InChIKeyQWCWULKTVSNVAZ-UHFFFAOYSA-N
XLogP2.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(2-methylprop-2-enyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 47095346
2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 43300945
N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide
CID 78762330
N-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide
CID 78761780
N,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide
CID 47095623
N-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 47096035
ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675
N-ethyl-N-(2-methylprop-2-enyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78761564
N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 16507640
5-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63941810
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876
2-(2-aminophenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 61118628

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide (CID 47095628) is N-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide is C=C(C)CN(CC)C(=O)CSc1ccccn1.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is QWCWULKTVSNVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-4-15(9-11(2)3)13(16)10-17-12-7-5-6-8-14-12/h5-8H,2,4,9-10H2,1,3H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide?
N-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 250.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 47095628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).