N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide

C11H14N2OS — CID 114618823

IUPACN-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide
SMILESC=C(C)CNC(=O)CSc1ccncc1
InChIInChI=1S/C11H14N2OS/c1-9(2)7-13-11(14)8-15-10-3-5-12-6-4-10/h3-6H,1,7-8H2,2H3,(H,13,14)
InChIKeyQFKWNSAXVLRZME-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.87
Rot. Bonds5

About N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide

N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide (PubChem CID 114618823) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide
PubChem CID114618823
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide
SMILESC=C(C)CNC(=O)CSc1ccncc1
InChIInChI=1S/C11H14N2OS/c1-9(2)7-13-11(14)8-15-10-3-5-12-6-4-10/h3-6H,1,7-8H2,2H3,(H,13,14)
InChIKeyQFKWNSAXVLRZME-UHFFFAOYSA-N
XLogP1.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-2-pyridin-4-ylsulfanylacetamide
CID 113258479
N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide
CID 65032260
N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide
CID 65112733
N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 51160435
3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
CID 43354856
2,2-dimethyl-3-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
CID 113307726
N-(2-hydroxy-2-methylbutyl)-2-pyridin-4-ylsulfanylacetamide
CID 65115027
N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide
CID 107318881
2-(2-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)acetamide
CID 114618800
3-methyl-2-[[(2-pyridin-4-ylsulfanylacetyl)amino]methyl]butanoic acid
CID 65220146
N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride
CID 120650682
N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide
CID 115636458

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide (CID 114618823) is N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide is C=C(C)CNC(=O)CSc1ccncc1.
What is the InChIKey of N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is QFKWNSAXVLRZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-9(2)7-13-11(14)8-15-10-3-5-12-6-4-10/h3-6H,1,7-8H2,2H3,(H,13,14).
What are the key properties of N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide?
N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 222.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 114618823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).