2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide

C12H20N2OS2 — CID 114187551

IUPAC2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide
SMILESC#CCSCCNC(=O)CSC1CCNCC1
InChIInChI=1S/C12H20N2OS2/c1-2-8-16-9-7-14-12(15)10-17-11-3-5-13-6-4-11/h1,11,13H,3-10H2,(H,14,15)
InChIKeyAOONVQVIEXOEBM-UHFFFAOYSA-N
MW272.44 g/mol
LogP0.95
Rot. Bonds7

About 2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide

2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide (PubChem CID 114187551) has the molecular formula C12H20N2OS2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide
PubChem CID114187551
Molecular FormulaC12H20N2OS2
Molecular Weight272.44 g/mol
Exact Mass272.10
IUPAC Name2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide
SMILESC#CCSCCNC(=O)CSC1CCNCC1
InChIInChI=1S/C12H20N2OS2/c1-2-8-16-9-7-14-12(15)10-17-11-3-5-13-6-4-11/h1,11,13H,3-10H2,(H,14,15)
InChIKeyAOONVQVIEXOEBM-UHFFFAOYSA-N
XLogP0.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 106427974
N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide
CID 106161364
N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide
CID 107842483
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627230
N-(2-methylsulfinylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628071
5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide
CID 106235677
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 106427755
N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627744
N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide
CID 106336452
N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628110
1-piperidin-4-ylsulfanylpropan-2-one
CID 19936634

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide?
The IUPAC name of 2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide (CID 114187551) is 2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide.
What is the SMILES notation for 2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide?
The canonical SMILES for 2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide is C#CCSCCNC(=O)CSC1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide?
The InChIKey is AOONVQVIEXOEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS2/c1-2-8-16-9-7-14-12(15)10-17-11-3-5-13-6-4-11/h1,11,13H,3-10H2,(H,14,15).
What are the key properties of 2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide?
2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide has a molecular weight of 272.44 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide is sourced from PubChem (CID 114187551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).