1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one

C10H19NO4S — CID 114501575

IUPAC1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one
SMILESCC1CN(C(=O)C(C)S(C)(=O)=O)CCC1O
InChIInChI=1S/C10H19NO4S/c1-7-6-11(5-4-9(7)12)10(13)8(2)16(3,14)15/h7-9,12H,4-6H2,1-3H3
InChIKeyISRRZFRAOICZGX-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.35
Rot. Bonds2

About 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one

1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one (PubChem CID 114501575) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one
PubChem CID114501575
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one
SMILESCC1CN(C(=O)C(C)S(C)(=O)=O)CCC1O
InChIInChI=1S/C10H19NO4S/c1-7-6-11(5-4-9(7)12)10(13)8(2)16(3,14)15/h7-9,12H,4-6H2,1-3H3
InChIKeyISRRZFRAOICZGX-UHFFFAOYSA-N
XLogP-0.35
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one
CID 115582876
1-(4-chloropiperidin-1-yl)-2-methylsulfonylpropan-1-one
CID 104522220
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-propylpentan-1-one
CID 114501573
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)butan-1-one
CID 121202919
(2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 104940920
2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)pentan-1-one
CID 114678311
3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid
CID 114678426
3-methyl-1-(2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid
CID 102776307
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 103900653
2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)pent-4-en-1-one
CID 114678359

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one?
The IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one (CID 114501575) is 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one?
The canonical SMILES for 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one is CC1CN(C(=O)C(C)S(C)(=O)=O)CCC1O.
What is the InChIKey of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one?
The InChIKey is ISRRZFRAOICZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-7-6-11(5-4-9(7)12)10(13)8(2)16(3,14)15/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one?
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one has a molecular weight of 249.33 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfonylpropan-1-one is sourced from PubChem (CID 114501575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).