N-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide

C13H19N3OS — CID 114626507

IUPACN-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide
SMILESCN(C(=O)CSC1CCNCC1)c1ccccn1
InChIInChI=1S/C13H19N3OS/c1-16(12-4-2-3-7-15-12)13(17)10-18-11-5-8-14-9-6-11/h2-4,7,11,14H,5-6,8-10H2,1H3
InChIKeyVSTWMAYEILCPGQ-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.53
Rot. Bonds4

About N-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide

N-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide (PubChem CID 114626507) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide
PubChem CID114626507
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide
SMILESCN(C(=O)CSC1CCNCC1)c1ccccn1
InChIInChI=1S/C13H19N3OS/c1-16(12-4-2-3-7-15-12)13(17)10-18-11-5-8-14-9-6-11/h2-4,7,11,14H,5-6,8-10H2,1H3
InChIKeyVSTWMAYEILCPGQ-UHFFFAOYSA-N
XLogP1.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid
CID 114627152
N-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627017
2-(cyclohexylmethylamino)-N-methyl-N-pyridin-2-ylacetamide
CID 101057675
N-benzyl-2-piperidin-4-ylsulfanyl-N-propylacetamide
CID 114626653
N-methyl-N-piperidin-4-ylpyridin-2-amine;hydrochloride
CID 71641470
3-(cyclopropylamino)-N-methyl-N-pyridin-2-ylpropanamide
CID 60843331
N-methyl-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 116653994
N-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 119442281
N-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide
CID 114627920
2-piperidin-4-ylsulfanyl-N-pyridazin-3-ylacetamide
CID 114628128
N-benzyl-N-(cyanomethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627134
N-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628092

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide?
The IUPAC name of N-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide (CID 114626507) is N-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide.
What is the SMILES notation for N-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide?
The canonical SMILES for N-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide is CN(C(=O)CSC1CCNCC1)c1ccccn1.
What is the InChIKey of N-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide?
The InChIKey is VSTWMAYEILCPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-16(12-4-2-3-7-15-12)13(17)10-18-11-5-8-14-9-6-11/h2-4,7,11,14H,5-6,8-10H2,1H3.
What are the key properties of N-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide?
N-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide has a molecular weight of 265.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperidin-4-ylsulfanyl-N-pyridin-2-ylacetamide is sourced from PubChem (CID 114626507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).