2-propylsulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide

C13H20N2OS — CID 87024291

IUPAC2-propylsulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
SMILESCCCSCC(=O)Nc1c(C)cc(C)nc1C
InChIInChI=1S/C13H20N2OS/c1-5-6-17-8-12(16)15-13-9(2)7-10(3)14-11(13)4/h7H,5-6,8H2,1-4H3,(H,15,16)
InChIKeyDBIRJVZQIIHHRU-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.09
Rot. Bonds5

About 2-propylsulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide

2-propylsulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide (PubChem CID 87024291) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-propylsulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-propylsulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
PubChem CID87024291
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-propylsulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
SMILESCCCSCC(=O)Nc1c(C)cc(C)nc1C
InChIInChI=1S/C13H20N2OS/c1-5-6-17-8-12(16)15-13-9(2)7-10(3)14-11(13)4/h7H,5-6,8H2,1-4H3,(H,15,16)
InChIKeyDBIRJVZQIIHHRU-UHFFFAOYSA-N
XLogP3.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]acetamide
CID 713770
2,2'-[2,6-pyridinediylbis(methylenethio)]bis[N-(2,6-dimethylphenyl)acetamide]
CID 1281682
2-(benzylsulfanyl)-N-(pyridin-3-yl)propanamide
CID 4043673
Cambridge id 6465387
CID 4679497
N-(2,6-dimethyl-3-pyridinyl)acetamide
CID 5169017
6,8-dimethyl-1H-1,5-naphthyridin-2-one
CID 13546472
Ethyl 2-[(3-amino-4,6-dimethyl-2-pyridinyl)sulfanyl]acetate
CID 71157381
2-bromo-N-(2,6-dimethyl-4-trifluoromethyl-3-pyridyl)acetamide
CID 23092437
N-[(2,6-dimethyl-4-pyridinyl)methyl-methyl-lambda4-sulfanylidene]-2,2,2-trifluoroacetamide
CID 123165607
N-[6-ethenyl-5-(1-fluoroethenyl)-2-methyl-3-pyridinyl]acetamide
CID 123963266
2-Fluoro-6-methyl-4-(methylsulfanylmethyl)pyridine;2,2,2-trifluoroacetamide
CID 144627184
N-[2,6-dimethyl-4-(trifluoromethyl)pyridin-3-yl]acetamide
CID 153903714

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
The IUPAC name of 2-propylsulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide (CID 87024291) is 2-propylsulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-propylsulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-propylsulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide is CCCSCC(=O)Nc1c(C)cc(C)nc1C.
What is the InChIKey of 2-propylsulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
The InChIKey is DBIRJVZQIIHHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-5-6-17-8-12(16)15-13-9(2)7-10(3)14-11(13)4/h7H,5-6,8H2,1-4H3,(H,15,16).
What are the key properties of 2-propylsulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide?
2-propylsulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide has a molecular weight of 252.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide is sourced from PubChem (CID 87024291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).