1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpiperidine

C14H21NO4S — CID 3132625

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpiperidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C14H21NO4S/c1-11-5-4-8-15(10-11)20(16,17)14-9-12(18-2)6-7-13(14)19-3/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeySQUFGOYKBHNXDJ-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.12
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpiperidine

1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpiperidine (PubChem CID 3132625) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpiperidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpiperidine
PubChem CID3132625
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpiperidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C14H21NO4S/c1-11-5-4-8-15(10-11)20(16,17)14-9-12(18-2)6-7-13(14)19-3/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeySQUFGOYKBHNXDJ-UHFFFAOYSA-N
XLogP2.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-Dimethoxybenzenesulfonyl)piperazine
CID 2758389
1-(4-Methoxy-benzenesulfonyl)-2-methyl-piperidine
CID 2843045
N-ethyl-2,5-dimethoxybenzenesulfonamide
CID 729552
2-[(2,5-Dimethoxyphenyl)sulfonyl]octahydropyrrolo[1,2-a]pyrazine
CID 6466395
1-(Benzenesulfonyl)-4-(4-methoxyphenoxy)piperidine
CID 23607722
1-((p-Methoxyphenyl)sulfonyl)piperidine
CID 247209
N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide
CID 1339330
1-[1-(2,5-Dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308412
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-methylpiperidine
CID 761426
1-(2-Methoxy-5-methyl-benzenesulfonyl)-4-methyl-piperidine
CID 646254
4-(2,5-Diethoxyphenyl)sulfonylmorpholine
CID 778396
1-(2,5-Dimethoxyphenyl)sulfonyl-4-ethylpiperazine
CID 971615

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpiperidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpiperidine (CID 3132625) is 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpiperidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpiperidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpiperidine is COc1ccc(OC)c(S(=O)(=O)N2CCCC(C)C2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpiperidine?
The InChIKey is SQUFGOYKBHNXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11-5-4-8-15(10-11)20(16,17)14-9-12(18-2)6-7-13(14)19-3/h6-7,9,11H,4-5,8,10H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpiperidine?
1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpiperidine has a molecular weight of 299.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-3-methylpiperidine is sourced from PubChem (CID 3132625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).