2-[(2-tert-butylsulfanylacetyl)-piperidin-4-ylamino]acetamide

C13H25N3O2S — CID 60801915

IUPAC2-[(2-tert-butylsulfanylacetyl)-piperidin-4-ylamino]acetamide
SMILESCC(C)(C)SCC(=O)N(CC(N)=O)C1CCNCC1
InChIInChI=1S/C13H25N3O2S/c1-13(2,3)19-9-12(18)16(8-11(14)17)10-4-6-15-7-5-10/h10,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyIYJIJJDVLSCCAZ-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.58
Rot. Bonds5

About 2-[(2-tert-butylsulfanylacetyl)-piperidin-4-ylamino]acetamide

2-[(2-tert-butylsulfanylacetyl)-piperidin-4-ylamino]acetamide (PubChem CID 60801915) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-[(2-tert-butylsulfanylacetyl)-piperidin-4-ylamino]acetamide.

Molecular Properties

Compound Name2-[(2-tert-butylsulfanylacetyl)-piperidin-4-ylamino]acetamide
PubChem CID60801915
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name2-[(2-tert-butylsulfanylacetyl)-piperidin-4-ylamino]acetamide
SMILESCC(C)(C)SCC(=O)N(CC(N)=O)C1CCNCC1
InChIInChI=1S/C13H25N3O2S/c1-13(2,3)19-9-12(18)16(8-11(14)17)10-4-6-15-7-5-10/h10,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyIYJIJJDVLSCCAZ-UHFFFAOYSA-N
XLogP0.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-3,4,4-trimethyl-N-piperidin-4-ylpentanamide
CID 63834715
N-(2-amino-2-oxoethyl)-4-methyl-N-piperidin-4-ylpentanamide
CID 54923747
N-(2-amino-2-oxoethyl)-N-pyrrolidin-3-ylcyclopropanecarboxamide
CID 60806195
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylcyclopentanecarboxamide
CID 54923795
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylpiperidine-1-carboxamide
CID 79155022
N-piperidin-4-yl-N-propyl-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
CID 119823659
2-tert-butylsulfanyl-N-(piperidin-4-ylmethyl)-N-propylacetamide
CID 79721209
N-(2-amino-2-oxoethyl)-2-(4-chlorophenyl)-N-piperidin-4-ylacetamide
CID 60801057
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide
CID 61230747
3-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-2-hydroxy-2-methylpropanoic acid
CID 104645042
2-[2-ethoxyethylsulfonyl(piperidin-4-yl)amino]acetamide
CID 63246713
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]-piperidin-3-ylamino]acetamide
CID 112602463

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylsulfanylacetyl)-piperidin-4-ylamino]acetamide?
The IUPAC name of 2-[(2-tert-butylsulfanylacetyl)-piperidin-4-ylamino]acetamide (CID 60801915) is 2-[(2-tert-butylsulfanylacetyl)-piperidin-4-ylamino]acetamide.
What is the SMILES notation for 2-[(2-tert-butylsulfanylacetyl)-piperidin-4-ylamino]acetamide?
The canonical SMILES for 2-[(2-tert-butylsulfanylacetyl)-piperidin-4-ylamino]acetamide is CC(C)(C)SCC(=O)N(CC(N)=O)C1CCNCC1.
What is the InChIKey of 2-[(2-tert-butylsulfanylacetyl)-piperidin-4-ylamino]acetamide?
The InChIKey is IYJIJJDVLSCCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-13(2,3)19-9-12(18)16(8-11(14)17)10-4-6-15-7-5-10/h10,15H,4-9H2,1-3H3,(H2,14,17).
What are the key properties of 2-[(2-tert-butylsulfanylacetyl)-piperidin-4-ylamino]acetamide?
2-[(2-tert-butylsulfanylacetyl)-piperidin-4-ylamino]acetamide has a molecular weight of 287.43 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylsulfanylacetyl)-piperidin-4-ylamino]acetamide is sourced from PubChem (CID 60801915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).