N-carbamoyl-2-pyridin-2-ylsulfanylacetamide

C8H9N3O2S — CID 5147544

IUPACN-carbamoyl-2-pyridin-2-ylsulfanylacetamide
SMILESNC(=O)NC(=O)CSc1ccccn1
InChIInChI=1S/C8H9N3O2S/c9-8(13)11-6(12)5-14-7-3-1-2-4-10-7/h1-4H,5H2,(H3,9,11,12,13)
InChIKeyNAMSOMATCWZLPX-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.37
Rot. Bonds3

About N-carbamoyl-2-pyridin-2-ylsulfanylacetamide

N-carbamoyl-2-pyridin-2-ylsulfanylacetamide (PubChem CID 5147544) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is N-carbamoyl-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-carbamoyl-2-pyridin-2-ylsulfanylacetamide
PubChem CID5147544
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC NameN-carbamoyl-2-pyridin-2-ylsulfanylacetamide
SMILESNC(=O)NC(=O)CSc1ccccn1
InChIInChI=1S/C8H9N3O2S/c9-8(13)11-6(12)5-14-7-3-1-2-4-10-7/h1-4H,5H2,(H3,9,11,12,13)
InChIKeyNAMSOMATCWZLPX-UHFFFAOYSA-N
XLogP0.37
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876
ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675
6-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61301472
N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
CID 684786
N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide
CID 3260207
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
N-carbamoyl-2-(6-phenylpyrimidin-4-yl)sulfanylacetamide
CID 16876410
N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670646
N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2747614
N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
CID 3918454
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-carbamoyl-2-pyridin-2-ylsulfanylacetamide (CID 5147544) is N-carbamoyl-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-carbamoyl-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-carbamoyl-2-pyridin-2-ylsulfanylacetamide is NC(=O)NC(=O)CSc1ccccn1.
What is the InChIKey of N-carbamoyl-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is NAMSOMATCWZLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c9-8(13)11-6(12)5-14-7-3-1-2-4-10-7/h1-4H,5H2,(H3,9,11,12,13).
What are the key properties of N-carbamoyl-2-pyridin-2-ylsulfanylacetamide?
N-carbamoyl-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 211.25 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 5147544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).