2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide

C14H20N2O3S — CID 133355858

IUPAC2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide
SMILESCS(=O)(=O)c1ccccc1N1CCCC(CC(N)=O)C1
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)13-7-3-2-6-12(13)16-8-4-5-11(10-16)9-14(15)17/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,15,17)
InChIKeyVERLKBMXCRYLDY-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.18
Rot. Bonds4

About 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide

2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide (PubChem CID 133355858) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide
PubChem CID133355858
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide
SMILESCS(=O)(=O)c1ccccc1N1CCCC(CC(N)=O)C1
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)13-7-3-2-6-12(13)16-8-4-5-11(10-16)9-14(15)17/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,15,17)
InChIKeyVERLKBMXCRYLDY-UHFFFAOYSA-N
XLogP1.18
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol
CID 62358143
1-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanone
CID 63845141
2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide
CID 133355894
3-[1-(3-methylsulfonyl-2-nitrophenyl)piperidin-3-yl]propanamide
CID 133432579
1-(2-methylsulfonylphenyl)piperidin-4-amine
CID 43453477
2-[3-(methylsulfonylmethyl)piperidin-1-yl]aniline
CID 171546472
4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol
CID 103896232
2-[1-[4-sulfamoyl-2-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 133355915
2-[4-(2-methylsulfonylphenyl)morpholin-2-yl]acetic acid
CID 66435977
2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide
CID 133355845
N-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine
CID 61204074
4-(2-methylpropyl)-1-(2-methylsulfonylphenyl)piperidine
CID 133363037

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide (CID 133355858) is 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide is CS(=O)(=O)c1ccccc1N1CCCC(CC(N)=O)C1.
What is the InChIKey of 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide?
The InChIKey is VERLKBMXCRYLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-20(18,19)13-7-3-2-6-12(13)16-8-4-5-11(10-16)9-14(15)17/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,15,17).
What are the key properties of 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide?
2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide has a molecular weight of 296.39 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 133355858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).