N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-pyridin-2-yloxamide

C10H12N4O2S — CID 43316407

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-pyridin-2-yloxamide
SMILESCN(C(=O)C(=O)NCC(N)=S)c1ccccn1
InChIInChI=1S/C10H12N4O2S/c1-14(8-4-2-3-5-12-8)10(16)9(15)13-6-7(11)17/h2-5H,6H2,1H3,(H2,11,17)(H,13,15)
InChIKeyCKBZBTZQYWACJT-UHFFFAOYSA-N
MW252.30 g/mol
LogP-0.55
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-pyridin-2-yloxamide

N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-pyridin-2-yloxamide (PubChem CID 43316407) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-pyridin-2-yloxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-pyridin-2-yloxamide
PubChem CID43316407
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-pyridin-2-yloxamide
SMILESCN(C(=O)C(=O)NCC(N)=S)c1ccccn1
InChIInChI=1S/C10H12N4O2S/c1-14(8-4-2-3-5-12-8)10(16)9(15)13-6-7(11)17/h2-5H,6H2,1H3,(H2,11,17)(H,13,15)
InChIKeyCKBZBTZQYWACJT-UHFFFAOYSA-N
XLogP-0.55
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-propyl-1-pyridin-2-ylurea
CID 116653987
2-amino-N,2-dimethyl-N-pyridin-2-ylpropanamide
CID 61265385
N-(2-amino-2-sulfanylideneethyl)-N'-[(2-fluorophenyl)methyl]-N'-methyloxamide
CID 61412898
5-carbamothioyl-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 63723408
2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-dicarboxamide
CID 101347293
6-amino-N-methyl-N-pyridin-2-ylpyridine-3-carboxamide
CID 62153613
N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43316315
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)oxamide
CID 61449625
ethyl N-carbamothioyl-N-pyridin-2-ylcarbamate
CID 21464404
2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid
CID 66291027
N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide
CID 43316161
2,2-difluoro-N-methyl-N-pyridin-2-ylacetamide
CID 103515256

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-pyridin-2-yloxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-pyridin-2-yloxamide (CID 43316407) is N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-pyridin-2-yloxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-pyridin-2-yloxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-pyridin-2-yloxamide is CN(C(=O)C(=O)NCC(N)=S)c1ccccn1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-pyridin-2-yloxamide?
The InChIKey is CKBZBTZQYWACJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-14(8-4-2-3-5-12-8)10(16)9(15)13-6-7(11)17/h2-5H,6H2,1H3,(H2,11,17)(H,13,15).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-pyridin-2-yloxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-pyridin-2-yloxamide has a molecular weight of 252.30 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-pyridin-2-yloxamide is sourced from PubChem (CID 43316407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).