2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide

C16H24N2O3S — CID 8541617

IUPAC2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
SMILESC[C@H]1C[C@H](C)CN(CC(=O)Nc2ccccc2S(C)(=O)=O)C1
InChIInChI=1S/C16H24N2O3S/c1-12-8-13(2)10-18(9-12)11-16(19)17-14-6-4-5-7-15(14)22(3,20)21/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyZKBAPVAICCUPDT-STQMWFEESA-N
MW324.45 g/mol
LogP2.01
Rot. Bonds4

About 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide

2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide (PubChem CID 8541617) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
PubChem CID8541617
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
SMILESC[C@H]1C[C@H](C)CN(CC(=O)Nc2ccccc2S(C)(=O)=O)C1
InChIInChI=1S/C16H24N2O3S/c1-12-8-13(2)10-18(9-12)11-16(19)17-14-6-4-5-7-15(14)22(3,20)21/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)/t12-,13-/m0/s1
InChIKeyZKBAPVAICCUPDT-STQMWFEESA-N
XLogP2.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930765
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 8930541
N-[2-(aminomethyl)phenyl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 16787564
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 17270452
N-(2-cyanophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930267
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 8930746
2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 8540795
2-[[2-(3-amino-5-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 79992543
N-(2,3-dimethylphenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]acetamide
CID 8929916
N-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 46666057
5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 122121790
N-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930429

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide (CID 8541617) is 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide is C[C@H]1C[C@H](C)CN(CC(=O)Nc2ccccc2S(C)(=O)=O)C1.
What is the InChIKey of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide?
The InChIKey is ZKBAPVAICCUPDT-STQMWFEESA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12-8-13(2)10-18(9-12)11-16(19)17-14-6-4-5-7-15(14)22(3,20)21/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)/t12-,13-/m0/s1.
What are the key properties of 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide?
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide has a molecular weight of 324.45 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 8541617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).