N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide

C13H26N2O2S — CID 107842483

IUPACN-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)NCCCCCCO
InChIInChI=1S/C13H26N2O2S/c16-10-4-2-1-3-7-15-13(17)11-18-12-5-8-14-9-6-12/h12,14,16H,1-11H2,(H,15,17)
InChIKeyYLRXPQPJBGKONS-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.14
Rot. Bonds9

About N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide

N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 107842483) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID107842483
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)NCCCCCCO
InChIInChI=1S/C13H26N2O2S/c16-10-4-2-1-3-7-15-13(17)11-18-12-5-8-14-9-6-12/h12,14,16H,1-11H2,(H,15,17)
InChIKeyYLRXPQPJBGKONS-UHFFFAOYSA-N
XLogP1.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.14
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

5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide
CID 106235677
N-(5-hydroxy-2,2-dimethylpentyl)-2-piperidin-4-ylsulfanylacetamide
CID 106148182
N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide
CID 106161364
N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide
CID 106336452
N-(2-methylsulfinylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628071
N-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627443
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627744
2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 114187551
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627230
N-(4-hydroxybutyl)-3-piperidin-4-ylpropanamide
CID 106841935
N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628110

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide (CID 107842483) is N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide is O=C(CSC1CCNCC1)NCCCCCCO.
What is the InChIKey of N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is YLRXPQPJBGKONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c16-10-4-2-1-3-7-15-13(17)11-18-12-5-8-14-9-6-12/h12,14,16H,1-11H2,(H,15,17).
What are the key properties of N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide?
N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 274.43 g/mol, XLogP of 1.14, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 107842483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).