N,N-dimethyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]acetamide

C11H15N3O2S — CID 31785206

IUPACN,N-dimethyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]acetamide
SMILESCN(C)C(=O)CNC(=O)CSc1ccncc1
InChIInChI=1S/C11H15N3O2S/c1-14(2)11(16)7-13-10(15)8-17-9-3-5-12-6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeyYIZCTVBHDMIZEW-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.38
Rot. Bonds5

About N,N-dimethyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]acetamide

N,N-dimethyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]acetamide (PubChem CID 31785206) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]acetamide
PubChem CID31785206
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN,N-dimethyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]acetamide
SMILESCN(C)C(=O)CNC(=O)CSc1ccncc1
InChIInChI=1S/C11H15N3O2S/c1-14(2)11(16)7-13-10(15)8-17-9-3-5-12-6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeyYIZCTVBHDMIZEW-UHFFFAOYSA-N
XLogP0.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylthio-N-(3-pyridylmethyl)acetamide
CID 800469
Rcc9YY7WJ6
CID 46907400
N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide
CID 2303967
N-cyclohexyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2413718
N-cyclopentyl-2-pyridin-2-ylsulfanylpropanamide
CID 16312597
Acylglycineboronic acid, 13
CID 9834477
3-(phenylthio)-N-(3-pyridinylmethyl)propanamide
CID 756072
2-phenylsulfanyl-N-pyridin-3-ylacetamide
CID 801624
2-phenylsulfanyl-N-pyridin-4-ylacetamide
CID 808415
N-[3-(methylthio)phenyl]-2-(1H-pyrrol-1-yl)acetamide
CID 3239705
N-methyl-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 5308434
Ethyl [(2-pyridinylthio)acetyl]carbamate
CID 2216794

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]acetamide (CID 31785206) is N,N-dimethyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]acetamide is CN(C)C(=O)CNC(=O)CSc1ccncc1.
What is the InChIKey of N,N-dimethyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]acetamide?
The InChIKey is YIZCTVBHDMIZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-14(2)11(16)7-13-10(15)8-17-9-3-5-12-6-4-9/h3-6H,7-8H2,1-2H3,(H,13,15).
What are the key properties of N,N-dimethyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]acetamide?
N,N-dimethyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]acetamide has a molecular weight of 253.33 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2-pyridin-4-ylsulfanylacetyl)amino]acetamide is sourced from PubChem (CID 31785206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).