N-(3-sulfanyl-4-pyridinyl)acetamide

C7H8N2OS — CID 119086581

IUPACN-(3-sulfanyl-4-pyridinyl)acetamide
SMILESCC(=O)Nc1ccncc1S
InChIInChI=1S/C7H8N2OS/c1-5(10)9-6-2-3-8-4-7(6)11/h2-4,11H,1H3,(H,8,9,10)
InChIKeyLSIZPIHTHCMCCF-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.33
Rot. Bonds1

About N-(3-sulfanyl-4-pyridinyl)acetamide

N-(3-sulfanyl-4-pyridinyl)acetamide (PubChem CID 119086581) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is N-(3-sulfanyl-4-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(3-sulfanyl-4-pyridinyl)acetamide
PubChem CID119086581
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC NameN-(3-sulfanyl-4-pyridinyl)acetamide
SMILESCC(=O)Nc1ccncc1S
InChIInChI=1S/C7H8N2OS/c1-5(10)9-6-2-3-8-4-7(6)11/h2-4,11H,1H3,(H,8,9,10)
InChIKeyLSIZPIHTHCMCCF-UHFFFAOYSA-N
XLogP1.33
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.33
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-(4-amino-3-pyridinyl)acetamide
CID 11593462
N-(5-chloroisoquinolin-8-yl)acetamide
CID 119086837
sodium 2-(3-acetamido-4-pyridinyl)acetate
CID 166428394
N-[4-(2-methylpropyl)-3-pyridinyl]acetamide
CID 123762017
N-(8-bromoisoquinolin-5-yl)acetamide
CID 18435891
N-[3-[2-(4-cyanophenyl)ethynyl]-4-pyridinyl]acetamide
CID 156838868
dimethyl 2-[(3-acetamido-4-pyridinyl)methylidene]propanedioate
CID 57449667
1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209
N-(6,9-dimethyl-5H-pyrido[4,3-b]indol-7-yl)acetamide
CID 10467444
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
N-(2-sulfanylphenyl)pyrazine-2-carboxamide
CID 136757506
methyl N-(3-iodo-4-pyridinyl)carbamate
CID 130741771

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfanyl-4-pyridinyl)acetamide?
The IUPAC name of N-(3-sulfanyl-4-pyridinyl)acetamide (CID 119086581) is N-(3-sulfanyl-4-pyridinyl)acetamide.
What is the SMILES notation for N-(3-sulfanyl-4-pyridinyl)acetamide?
The canonical SMILES for N-(3-sulfanyl-4-pyridinyl)acetamide is CC(=O)Nc1ccncc1S.
What is the InChIKey of N-(3-sulfanyl-4-pyridinyl)acetamide?
The InChIKey is LSIZPIHTHCMCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-5(10)9-6-2-3-8-4-7(6)11/h2-4,11H,1H3,(H,8,9,10).
What are the key properties of N-(3-sulfanyl-4-pyridinyl)acetamide?
N-(3-sulfanyl-4-pyridinyl)acetamide has a molecular weight of 168.22 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfanyl-4-pyridinyl)acetamide is sourced from PubChem (CID 119086581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).