1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone

C10H19NO3S — CID 63847030

IUPAC1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(CCS(C)(=O)=O)C1
InChIInChI=1S/C10H19NO3S/c1-9(12)10-4-3-5-11(8-10)6-7-15(2,13)14/h10H,3-8H2,1-2H3
InChIKeyXVWDTFWWWIUIBY-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.33
Rot. Bonds4

About 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone

1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone (PubChem CID 63847030) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone
PubChem CID63847030
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(CCS(C)(=O)=O)C1
InChIInChI=1S/C10H19NO3S/c1-9(12)10-4-3-5-11(8-10)6-7-15(2,13)14/h10H,3-8H2,1-2H3
InChIKeyXVWDTFWWWIUIBY-UHFFFAOYSA-N
XLogP0.33
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanone
CID 63846320
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanone
CID 63845115
1-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]ethanone
CID 79355581
1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
CID 43808023
1-(2-methylsulfonylethyl)azepan-3-amine
CID 84686145
1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 56526123
1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid
CID 104835427
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
2-(3-acetylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 63844591
1-[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]ethanone
CID 106452872
3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylsulfonylethyl)piperidine
CID 119066922
3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine
CID 122132509

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone (CID 63847030) is 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone is CC(=O)C1CCCN(CCS(C)(=O)=O)C1.
What is the InChIKey of 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone?
The InChIKey is XVWDTFWWWIUIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-9(12)10-4-3-5-11(8-10)6-7-15(2,13)14/h10H,3-8H2,1-2H3.
What are the key properties of 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone?
1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone has a molecular weight of 233.33 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone is sourced from PubChem (CID 63847030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).