N-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide

C13H18BrN3OS — CID 114627796

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
SMILESCc1cc(NC(=O)CSC2CCNCC2)ncc1Br
InChIInChI=1S/C13H18BrN3OS/c1-9-6-12(16-7-11(9)14)17-13(18)8-19-10-2-4-15-5-3-10/h6-7,10,15H,2-5,8H2,1H3,(H,16,17,18)
InChIKeyIACSBVNFNYNLJD-UHFFFAOYSA-N
MW344.28 g/mol
LogP2.58
Rot. Bonds4

About N-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide

N-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627796) has the molecular formula C13H18BrN3OS and a molecular weight of 344.28 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627796
Molecular FormulaC13H18BrN3OS
Molecular Weight344.28 g/mol
Exact Mass343.04
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
SMILESCc1cc(NC(=O)CSC2CCNCC2)ncc1Br
InChIInChI=1S/C13H18BrN3OS/c1-9-6-12(16-7-11(9)14)17-13(18)8-19-10-2-4-15-5-3-10/h6-7,10,15H,2-5,8H2,1H3,(H,16,17,18)
InChIKeyIACSBVNFNYNLJD-UHFFFAOYSA-N
XLogP2.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-2-pyrrolidin-3-ylacetamide
CID 79733319
N-(5-bromo-6-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627759
2-(azetidin-3-yl)-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734717
2-piperidin-4-ylsulfanyl-N-pyrazin-2-ylacetamide
CID 114626669
N-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627698
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
N-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide
CID 79734229
N-(4-bromo-2,6-dichlorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626544
N-(1-methylpyrazol-3-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626846
N-(4-ethyl-1H-pyrazol-5-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114628039
N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79730214
N-(6-chloro-3-pyridinyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627925

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide (CID 114627796) is N-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide is Cc1cc(NC(=O)CSC2CCNCC2)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is IACSBVNFNYNLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3OS/c1-9-6-12(16-7-11(9)14)17-13(18)8-19-10-2-4-15-5-3-10/h6-7,10,15H,2-5,8H2,1H3,(H,16,17,18).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 344.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).