N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide

C16H24N2O3S — CID 49458647

IUPACN-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C16H24N2O3S/c1-11-9-12(2)16(13(3)10-11)22(20,21)18-7-5-15(6-8-18)17-14(4)19/h9-10,15H,5-8H2,1-4H3,(H,17,19)
InChIKeyRGTGFJPLPOKIAG-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.90
Rot. Bonds3

About N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide

N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 49458647) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide
PubChem CID49458647
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C16H24N2O3S/c1-11-9-12(2)16(13(3)10-11)22(20,21)18-7-5-15(6-8-18)17-14(4)19/h9-10,15H,5-8H2,1-4H3,(H,17,19)
InChIKeyRGTGFJPLPOKIAG-UHFFFAOYSA-N
XLogP1.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide
CID 107327407
2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide
CID 10552105
N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 110726948
N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990592
N-cyclopentyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3152152
(3S)-N-(1-methylpiperidin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 99967793
azepan-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 27658984
3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,3-diazabicyclo[2.2.2]octane
CID 118314239
2,4,6-trimethyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 11754834
4-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-ol
CID 103896846
4-(4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
CID 146627881
N-(2,3-dimethylcyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 43007922

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide (CID 49458647) is N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide is CC(=O)NC1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1.
What is the InChIKey of N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is RGTGFJPLPOKIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-11-9-12(2)16(13(3)10-11)22(20,21)18-7-5-15(6-8-18)17-14(4)19/h9-10,15H,5-8H2,1-4H3,(H,17,19).
What are the key properties of N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide?
N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 324.45 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 49458647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).