N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide

C16H24N2O3S — CID 48737522

IUPACN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C16H24N2O3S/c1-12-5-6-13(2)16(11-12)22(20,21)18-9-7-15(8-10-18)17(4)14(3)19/h5-6,11,15H,7-10H2,1-4H3
InChIKeyXWJRCWBPBQMDKM-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.93
Rot. Bonds3

About N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide

N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide (PubChem CID 48737522) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide
PubChem CID48737522
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C16H24N2O3S/c1-12-5-6-13(2)16(11-12)22(20,21)18-9-7-15(8-10-18)17(4)14(3)19/h5-6,11,15H,7-10H2,1-4H3
InChIKeyXWJRCWBPBQMDKM-UHFFFAOYSA-N
XLogP1.93
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8924226
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980300
1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 27234823
1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597096
(3S,4R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine-3,4-diol
CID 71683265
1-(2,5-dimethylphenyl)sulfonyl-4-isocyanatopiperidine
CID 28941143
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
CID 108559576
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pentane-1,4-dione
CID 9496224
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide
CID 108562425
1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81104027
methyl 4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818496
1-(2,5-dimethylphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 100780406

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide (CID 48737522) is N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide?
The InChIKey is XWJRCWBPBQMDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12-5-6-13(2)16(11-12)22(20,21)18-9-7-15(8-10-18)17(4)14(3)19/h5-6,11,15H,7-10H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide?
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide has a molecular weight of 324.45 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 48737522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).