1-piperidin-4-ylsulfanylpropan-2-one

C8H15NOS — CID 19936634

IUPAC1-piperidin-4-ylsulfanylpropan-2-one
SMILESCC(=O)CSC1CCNCC1
InChIInChI=1S/C8H15NOS/c1-7(10)6-11-8-2-4-9-5-3-8/h8-9H,2-6H2,1H3
InChIKeyDBBAFZSLCYOMCK-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.06
Rot. Bonds3

About 1-piperidin-4-ylsulfanylpropan-2-one

1-piperidin-4-ylsulfanylpropan-2-one (PubChem CID 19936634) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 1-piperidin-4-ylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-piperidin-4-ylsulfanylpropan-2-one
PubChem CID19936634
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name1-piperidin-4-ylsulfanylpropan-2-one
SMILESCC(=O)CSC1CCNCC1
InChIInChI=1S/C8H15NOS/c1-7(10)6-11-8-2-4-9-5-3-8/h8-9H,2-6H2,1H3
InChIKeyDBBAFZSLCYOMCK-UHFFFAOYSA-N
XLogP1.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
N-methyl-N-(2-methylprop-2-enyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628092
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-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628110
N-methyl-2-piperidin-4-ylsulfanyl-N-prop-2-enylacetamide
CID 114627920
N-(dicyclopropylmethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627232
N-(2,3-dihydroxypropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627744
2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide
CID 103307451
N-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide
CID 114628005
N-(2-methylsulfinylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628071
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone
CID 114678293

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylsulfanylpropan-2-one?
The IUPAC name of 1-piperidin-4-ylsulfanylpropan-2-one (CID 19936634) is 1-piperidin-4-ylsulfanylpropan-2-one.
What is the SMILES notation for 1-piperidin-4-ylsulfanylpropan-2-one?
The canonical SMILES for 1-piperidin-4-ylsulfanylpropan-2-one is CC(=O)CSC1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylsulfanylpropan-2-one?
The InChIKey is DBBAFZSLCYOMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-7(10)6-11-8-2-4-9-5-3-8/h8-9H,2-6H2,1H3.
What are the key properties of 1-piperidin-4-ylsulfanylpropan-2-one?
1-piperidin-4-ylsulfanylpropan-2-one has a molecular weight of 173.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylsulfanylpropan-2-one is sourced from PubChem (CID 19936634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).