N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide

C13H26N2O2S — CID 106161364

IUPACN-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide
SMILESCC(CO)CCCNC(=O)CSC1CCNCC1
InChIInChI=1S/C13H26N2O2S/c1-11(9-16)3-2-6-15-13(17)10-18-12-4-7-14-8-5-12/h11-12,14,16H,2-10H2,1H3,(H,15,17)
InChIKeyAPDQMKHJGOQFGP-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.00
Rot. Bonds8

About N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide

N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 106161364) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID106161364
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide
SMILESCC(CO)CCCNC(=O)CSC1CCNCC1
InChIInChI=1S/C13H26N2O2S/c1-11(9-16)3-2-6-15-13(17)10-18-12-4-7-14-8-5-12/h11-12,14,16H,2-10H2,1H3,(H,15,17)
InChIKeyAPDQMKHJGOQFGP-UHFFFAOYSA-N
XLogP1.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.00
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-[(2S)-1-hydroxypropan-2-yl]-2-piperidin-4-ylsulfanylacetamide
CID 107219108
N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626594
5-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanamide
CID 106235677
N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide
CID 106336452
N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627744
2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 114187551
N-(2-methylsulfinylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628071
N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628110
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide
CID 106255078
N-(5-hydroxy-2,2-dimethylpentyl)-2-piperidin-4-ylsulfanylacetamide
CID 106148182
2-methyl-6-[(2-piperidin-4-ylsulfanylacetyl)amino]heptanoic acid
CID 114627693

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide (CID 106161364) is N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide is CC(CO)CCCNC(=O)CSC1CCNCC1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is APDQMKHJGOQFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-11(9-16)3-2-6-15-13(17)10-18-12-4-7-14-8-5-12/h11-12,14,16H,2-10H2,1H3,(H,15,17).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide?
N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 274.43 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 106161364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).