2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone

C10H19NO2S — CID 115659711

IUPAC2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone
SMILESCC(CO)SCC(=O)N1CCCCC1
InChIInChI=1S/C10H19NO2S/c1-9(7-12)14-8-10(13)11-5-3-2-4-6-11/h9,12H,2-8H2,1H3
InChIKeyULSUYYFQSPXBJX-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.11
Rot. Bonds4

About 2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone

2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone (PubChem CID 115659711) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone
PubChem CID115659711
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone
SMILESCC(CO)SCC(=O)N1CCCCC1
InChIInChI=1S/C10H19NO2S/c1-9(7-12)14-8-10(13)11-5-3-2-4-6-11/h9,12H,2-8H2,1H3
InChIKeyULSUYYFQSPXBJX-UHFFFAOYSA-N
XLogP1.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxypropan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 115776841
methyl 2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)sulfanylbutanoate
CID 114235832
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
CID 14367450
1-(azepan-1-yl)-2-(2,3-dihydroxypropylsulfanyl)ethanone
CID 79682454
2-(4-hydroxybutan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 66136593
2-(3-methylbutylsulfanyl)-1-piperidin-1-ylethanone
CID 146333641
1-(azetidin-1-yl)-2-(3-hydroxy-2-methylpropyl)sulfanylethanone
CID 66105998
1-(azepan-1-yl)-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]ethanone
CID 114151959
(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
2-(3-methylbutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43086362
2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone
CID 65036162

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone (CID 115659711) is 2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone is CC(CO)SCC(=O)N1CCCCC1.
What is the InChIKey of 2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone?
The InChIKey is ULSUYYFQSPXBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-9(7-12)14-8-10(13)11-5-3-2-4-6-11/h9,12H,2-8H2,1H3.
What are the key properties of 2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone?
2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone has a molecular weight of 217.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 115659711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).