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

C8H10N2OS — CID 79044042

IUPACN-(2-methyl-3-pyridinyl)-2-sulfanylacetamide
SMILESCc1ncccc1NC(=O)CS
InChIInChI=1S/C8H10N2OS/c1-6-7(3-2-4-9-6)10-8(11)5-12/h2-4,12H,5H2,1H3,(H,10,11)
InChIKeyZQSOSOGNLMJURR-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.26
Rot. Bonds2

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

N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide (PubChem CID 79044042) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyridinyl)-2-sulfanylacetamide
PubChem CID79044042
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC NameN-(2-methyl-3-pyridinyl)-2-sulfanylacetamide
SMILESCc1ncccc1NC(=O)CS
InChIInChI=1S/C8H10N2OS/c1-6-7(3-2-4-9-6)10-8(11)5-12/h2-4,12H,5H2,1H3,(H,10,11)
InChIKeyZQSOSOGNLMJURR-UHFFFAOYSA-N
XLogP1.26
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-methyl-3-pyridinyl)propanamide
CID 79042008
3-amino-N-(2-methyl-3-pyridinyl)-3-sulfanylidenepropanamide
CID 79043985
N-(2-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 79044146
4-chloro-N-(2-methyl-3-pyridinyl)butanamide
CID 79042686
2-(cyclopropylamino)-N-(2-methyl-3-pyridinyl)acetamide
CID 79043374
2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 79041968
2-(3-hydroxyphenyl)-N-(2-methyl-3-pyridinyl)acetamide
CID 79043394
2-(benzhydrylamino)-N-(2-methyl-3-pyridinyl)acetamide
CID 168957839
2-(2-aminoethoxy)-N-(2-methyl-3-pyridinyl)acetamide
CID 79478921
N-(2-methyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119844533
4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79041653
2-(2-aminophenoxy)-N-(2-methyl-3-pyridinyl)acetamide
CID 79042181

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide?
The IUPAC name of N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide (CID 79044042) is N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide?
The canonical SMILES for N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide is Cc1ncccc1NC(=O)CS.
What is the InChIKey of N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide?
The InChIKey is ZQSOSOGNLMJURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-6-7(3-2-4-9-6)10-8(11)5-12/h2-4,12H,5H2,1H3,(H,10,11).
What are the key properties of N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide?
N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide has a molecular weight of 182.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyridinyl)-2-sulfanylacetamide is sourced from PubChem (CID 79044042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).