N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide

C8H10N2OS — CID 83773687

IUPACN-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
SMILESCc1ccc(NC(=O)CS)nc1
InChIInChI=1S/C8H10N2OS/c1-6-2-3-7(9-4-6)10-8(11)5-12/h2-4,12H,5H2,1H3,(H,9,10,11)
InChIKeyKMKZZDAYSPGLHU-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.26
Rot. Bonds2

About N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide

N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide (PubChem CID 83773687) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
PubChem CID83773687
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC NameN-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
SMILESCc1ccc(NC(=O)CS)nc1
InChIInChI=1S/C8H10N2OS/c1-6-2-3-7(9-4-6)10-8(11)5-12/h2-4,12H,5H2,1H3,(H,9,10,11)
InChIKeyKMKZZDAYSPGLHU-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

N-(5-methyl-2-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 60841992
N-(5-methyl-2-pyridinyl)-2-nitroacetamide
CID 12520553
methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate
CID 47150722
3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
2-(azetidin-3-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 64617953
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide
CID 47293166
2-(cyclopropylamino)-N-(5-methyl-2-pyridinyl)acetamide
CID 60842500
N'-(5-methyl-2-pyridinyl)oxamide
CID 23087857
N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide
CID 79286305
N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide
CID 35022311
2-(5-methylpyrazol-1-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 35762634

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide (CID 83773687) is N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide is Cc1ccc(NC(=O)CS)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide?
The InChIKey is KMKZZDAYSPGLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-6-2-3-7(9-4-6)10-8(11)5-12/h2-4,12H,5H2,1H3,(H,9,10,11).
What are the key properties of N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide?
N-(5-methyl-2-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-(5-methyl-2-pyridinyl)-2-sulfanylacetamide is sourced from PubChem (CID 83773687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).