2-(3-hydroxypropylsulfonyl)-1-piperidin-1-ylethanone

C10H19NO4S — CID 82181863

IUPAC2-(3-hydroxypropylsulfonyl)-1-piperidin-1-ylethanone
SMILESO=C(CS(=O)(=O)CCCO)N1CCCCC1
InChIInChI=1S/C10H19NO4S/c12-7-4-8-16(14,15)9-10(13)11-5-2-1-3-6-11/h12H,1-9H2
InChIKeyKHBZPMRNYLOHRK-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.20
Rot. Bonds5

About 2-(3-hydroxypropylsulfonyl)-1-piperidin-1-ylethanone

2-(3-hydroxypropylsulfonyl)-1-piperidin-1-ylethanone (PubChem CID 82181863) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(3-hydroxypropylsulfonyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-hydroxypropylsulfonyl)-1-piperidin-1-ylethanone
PubChem CID82181863
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-(3-hydroxypropylsulfonyl)-1-piperidin-1-ylethanone
SMILESO=C(CS(=O)(=O)CCCO)N1CCCCC1
InChIInChI=1S/C10H19NO4S/c12-7-4-8-16(14,15)9-10(13)11-5-2-1-3-6-11/h12H,1-9H2
InChIKeyKHBZPMRNYLOHRK-UHFFFAOYSA-N
XLogP-0.20
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-(3-hydroxypropylsulfonyl)ethanone
CID 82181869
2-(5-aminohexylsulfonyl)-1-pyrrolidin-1-ylethanone
CID 114236177
2-(3-aminopropylsulfonyl)-1-morpholin-4-ylethanone
CID 79015170
1-(azepan-1-yl)-3-hydroxypropan-1-one
CID 82111325
4-(2-oxo-2-piperazin-1-ylethyl)sulfonylbutanoic acid
CID 82182894
1-(azepan-1-yl)-2-(3-hydroxypropylsulfanyl)ethanone
CID 66114073
4-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylmethyl]benzoic acid
CID 94804338
2-(3-hydroxypropylsulfinyl)-1-piperidin-1-ylethanone
CID 123101006
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylpentanoic acid
CID 117098067
1-(1,4-diazepan-1-yl)-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride
CID 119416707

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylsulfonyl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(3-hydroxypropylsulfonyl)-1-piperidin-1-ylethanone (CID 82181863) is 2-(3-hydroxypropylsulfonyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(3-hydroxypropylsulfonyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(3-hydroxypropylsulfonyl)-1-piperidin-1-ylethanone is O=C(CS(=O)(=O)CCCO)N1CCCCC1.
What is the InChIKey of 2-(3-hydroxypropylsulfonyl)-1-piperidin-1-ylethanone?
The InChIKey is KHBZPMRNYLOHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c12-7-4-8-16(14,15)9-10(13)11-5-2-1-3-6-11/h12H,1-9H2.
What are the key properties of 2-(3-hydroxypropylsulfonyl)-1-piperidin-1-ylethanone?
2-(3-hydroxypropylsulfonyl)-1-piperidin-1-ylethanone has a molecular weight of 249.33 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylsulfonyl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 82181863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).