2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide

C10H20N2O3S2 — CID 103307451

IUPAC2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide
SMILESCCCS(=O)(=O)NC(=O)CSC1CCNCC1
InChIInChI=1S/C10H20N2O3S2/c1-2-7-17(14,15)12-10(13)8-16-9-3-5-11-6-4-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyBZIVEKGGQHWSEV-UHFFFAOYSA-N
MW280.41 g/mol
LogP0.33
Rot. Bonds6

About 2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide

2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide (PubChem CID 103307451) has the molecular formula C10H20N2O3S2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide.

Molecular Properties

Compound Name2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide
PubChem CID103307451
Molecular FormulaC10H20N2O3S2
Molecular Weight280.41 g/mol
Exact Mass280.09
IUPAC Name2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide
SMILESCCCS(=O)(=O)NC(=O)CSC1CCNCC1
InChIInChI=1S/C10H20N2O3S2/c1-2-7-17(14,15)12-10(13)8-16-9-3-5-11-6-4-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyBZIVEKGGQHWSEV-UHFFFAOYSA-N
XLogP0.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperidin-4-yl-N-propylsulfonylacetamide
CID 103307321
N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628110
4-methylsulfonyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]butanoic acid
CID 114627170
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide
CID 106336452
N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627744
N-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626700
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-piperidin-4-ylsulfanylacetamide
CID 106255078
1-piperidin-4-ylsulfanylpropan-2-one
CID 19936634
N-[(2S)-1-hydroxypropan-2-yl]-2-piperidin-4-ylsulfanylacetamide
CID 107219108
N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626594
N-(2-methylsulfinylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628071

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide?
The IUPAC name of 2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide (CID 103307451) is 2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide.
What is the SMILES notation for 2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide?
The canonical SMILES for 2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide is CCCS(=O)(=O)NC(=O)CSC1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide?
The InChIKey is BZIVEKGGQHWSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S2/c1-2-7-17(14,15)12-10(13)8-16-9-3-5-11-6-4-9/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide?
2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide has a molecular weight of 280.41 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide is sourced from PubChem (CID 103307451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).