2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine

C16H26N2O3S — CID 75416418

IUPAC2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(S(=O)(=O)N2CCC(CCN(C)C)CC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-17(2)11-8-14-9-12-18(13-10-14)22(19,20)16-6-4-15(21-3)5-7-16/h4-7,14H,8-13H2,1-3H3
InChIKeyJDBUTAYKCNFPAU-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.05
Rot. Bonds6

About 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine

2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine (PubChem CID 75416418) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine
PubChem CID75416418
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(S(=O)(=O)N2CCC(CCN(C)C)CC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-17(2)11-8-14-9-12-18(13-10-14)22(19,20)16-6-4-15(21-3)5-7-16/h4-7,14H,8-13H2,1-3H3
InChIKeyJDBUTAYKCNFPAU-UHFFFAOYSA-N
XLogP2.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-4-(3-piperidin-4-ylpropyl)piperidine
CID 142200893
1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine
CID 55476665
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 3230694
4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine
CID 134017737
1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine
CID 87024962
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 100799208
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308435
4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 71781099

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine (CID 75416418) is 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine is COc1ccc(S(=O)(=O)N2CCC(CCN(C)C)CC2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine?
The InChIKey is JDBUTAYKCNFPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-17(2)11-8-14-9-12-18(13-10-14)22(19,20)16-6-4-15(21-3)5-7-16/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine?
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine has a molecular weight of 326.46 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 75416418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).