N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide

C15H22N2O3S — CID 2836734

IUPACN-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C15H22N2O3S/c1-11-5-4-6-12(2)17(11)21(19,20)15-9-7-14(8-10-15)16-13(3)18/h7-12H,4-6H2,1-3H3,(H,16,18)
InChIKeyHGNMRYMGUGOATL-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.60
Rot. Bonds3

About N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide

N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 2836734) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID2836734
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C15H22N2O3S/c1-11-5-4-6-12(2)17(11)21(19,20)15-9-7-14(8-10-15)16-13(3)18/h7-12H,4-6H2,1-3H3,(H,16,18)
InChIKeyHGNMRYMGUGOATL-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]prop-2-enamide
CID 166406251
1-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-ethylurea
CID 40952612
1-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(4-methylphenyl)thiourea
CID 27525391
1-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(4-methylphenyl)thiourea
CID 27525392
2-(azepan-1-yl)-N-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51687104
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603455
N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide
CID 27519574
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 26712109
1-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-(2-fluorophenyl)thiourea
CID 8002769
(2R,6R)-1-(4-iodophenyl)sulfonyl-2,6-dimethylpiperidine
CID 1235136

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide (CID 2836734) is N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2C(C)CCCC2C)cc1.
What is the InChIKey of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is HGNMRYMGUGOATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-5-4-6-12(2)17(11)21(19,20)15-9-7-14(8-10-15)16-13(3)18/h7-12H,4-6H2,1-3H3,(H,16,18).
What are the key properties of N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide?
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 310.42 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 2836734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).