N-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide

C13H25N3O2S — CID 114626598

IUPACN-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNC(=O)CSC1CCNCC1
InChIInChI=1S/C13H25N3O2S/c1-13(2,3)16-11(17)8-15-12(18)9-19-10-4-6-14-7-5-10/h10,14H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyJPABEOXJLWCUMZ-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.50
Rot. Bonds5

About N-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide

N-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide (PubChem CID 114626598) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide
PubChem CID114626598
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNC(=O)CSC1CCNCC1
InChIInChI=1S/C13H25N3O2S/c1-13(2,3)16-11(17)8-15-12(18)9-19-10-4-6-14-7-5-10/h10,14H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyJPABEOXJLWCUMZ-UHFFFAOYSA-N
XLogP0.50
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(piperidin-4-ylmethylamino)acetamide
CID 115356303
N-(5-hydroxy-2,2-dimethylpentyl)-2-piperidin-4-ylsulfanylacetamide
CID 106148182
N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628110
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide
CID 106255078
N-(2-methylsulfinylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628071
N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627369
N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide
CID 107842483
2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide
CID 103307451
N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627744
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627230
1-piperidin-4-ylsulfanylpropan-2-one
CID 19936634

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide (CID 114626598) is N-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide is CC(C)(C)NC(=O)CNC(=O)CSC1CCNCC1.
What is the InChIKey of N-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide?
The InChIKey is JPABEOXJLWCUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-13(2,3)16-11(17)8-15-12(18)9-19-10-4-6-14-7-5-10/h10,14H,4-9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide?
N-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide has a molecular weight of 287.43 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide is sourced from PubChem (CID 114626598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).