N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide

C11H16N2OS — CID 52671364

IUPACN-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide
SMILESCCCSCC(=O)Nc1ncccc1C
InChIInChI=1S/C11H16N2OS/c1-3-7-15-8-10(14)13-11-9(2)5-4-6-12-11/h4-6H,3,7-8H2,1-2H3,(H,12,13,14)
InChIKeyKFONTVNLCTVWQB-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.47
Rot. Bonds5

About N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide

N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide (PubChem CID 52671364) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide
PubChem CID52671364
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide
SMILESCCCSCC(=O)Nc1ncccc1C
InChIInChI=1S/C11H16N2OS/c1-3-7-15-8-10(14)13-11-9(2)5-4-6-12-11/h4-6H,3,7-8H2,1-2H3,(H,12,13,14)
InChIKeyKFONTVNLCTVWQB-UHFFFAOYSA-N
XLogP2.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.47
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

2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide
CID 27896934
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222
2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide
CID 126172286
2-(2-aminoethylsulfanyl)-N-(3-propoxy-2-pyridinyl)acetamide
CID 84561073
2-(2-hydroxyphenyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 60615989
N'-(3-methyl-2-pyridinyl)-N-propyloxamide
CID 44997048
2-anilino-N-(3-methyl-2-pyridinyl)acetamide
CID 60860277
5-bromo-N-(3-methyl-2-pyridinyl)pentanamide
CID 107907296
5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate
CID 5059391
3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide
CID 81070527
N-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 126184841
(2R)-2-amino-N-(3-methyl-2-pyridinyl)pentanamide
CID 107568105

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide (CID 52671364) is N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide is CCCSCC(=O)Nc1ncccc1C.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide?
The InChIKey is KFONTVNLCTVWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-7-15-8-10(14)13-11-9(2)5-4-6-12-11/h4-6H,3,7-8H2,1-2H3,(H,12,13,14).
What are the key properties of N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide?
N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide has a molecular weight of 224.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide is sourced from PubChem (CID 52671364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).