5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide

C12H23N3O2S — CID 106235677

IUPAC5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide
SMILESNC(=O)CCCCNC(=O)CSC1CCNCC1
InChIInChI=1S/C12H23N3O2S/c13-11(16)3-1-2-6-15-12(17)9-18-10-4-7-14-8-5-10/h10,14H,1-9H2,(H2,13,16)(H,15,17)
InChIKeyZALNLIHWAFGFCP-UHFFFAOYSA-N
MW273.40 g/mol
LogP0.24
Rot. Bonds8

About 5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide

5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide (PubChem CID 106235677) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide.

Molecular Properties

Compound Name5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide
PubChem CID106235677
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide
SMILESNC(=O)CCCCNC(=O)CSC1CCNCC1
InChIInChI=1S/C12H23N3O2S/c13-11(16)3-1-2-6-15-12(17)9-18-10-4-7-14-8-5-10/h10,14H,1-9H2,(H2,13,16)(H,15,17)
InChIKeyZALNLIHWAFGFCP-UHFFFAOYSA-N
XLogP0.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide
CID 107842483
N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide
CID 106336452
N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide
CID 106161364
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627230
N-(2-methylsulfinylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628071
N-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627443
2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 114187551
N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628110
N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627744
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627546
N-(5-amino-5-oxopentyl)pyrrolidine-3-carboxamide
CID 106235636
N-tert-butyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]acetamide
CID 114626598

Frequently Asked Questions

What is the IUPAC name of 5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide?
The IUPAC name of 5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide (CID 106235677) is 5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide.
What is the SMILES notation for 5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide?
The canonical SMILES for 5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide is NC(=O)CCCCNC(=O)CSC1CCNCC1.
What is the InChIKey of 5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide?
The InChIKey is ZALNLIHWAFGFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c13-11(16)3-1-2-6-15-12(17)9-18-10-4-7-14-8-5-10/h10,14H,1-9H2,(H2,13,16)(H,15,17).
What are the key properties of 5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide?
5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide has a molecular weight of 273.40 g/mol, XLogP of 0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide is sourced from PubChem (CID 106235677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).