1-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperidine

C15H23NO4S — CID 2896830

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2C(C)CCCC2C)c1
InChIInChI=1S/C15H23NO4S/c1-11-6-5-7-12(2)16(11)21(17,18)15-10-13(19-3)8-9-14(15)20-4/h8-12H,5-7H2,1-4H3
InChIKeyUZBLAPBMBANIMA-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.66
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperidine

1-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperidine (PubChem CID 2896830) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperidine
PubChem CID2896830
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2C(C)CCCC2C)c1
InChIInChI=1S/C15H23NO4S/c1-11-6-5-7-12(2)16(11)21(17,18)15-10-13(19-3)8-9-14(15)20-4/h8-12H,5-7H2,1-4H3
InChIKeyUZBLAPBMBANIMA-UHFFFAOYSA-N
XLogP2.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.66
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
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide
CID 715058
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-[(3R)-1-cyano-3-pyrrolidinyl]-2,5-bis(methyloxy)benzenesulfonamide
CID 44464926
N-[(3R,5S)-1-Cyano-5-methyl-3-pyrrolidinyl]-2,5-bis(methyloxy)benzenesulfonamide
CID 53318818
1-[1-(2,5-Dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308412
4-(3-Methoxyphenylsulfonyl)morpholine
CID 890650
1-(2-Methoxy-5-methyl-benzenesulfonyl)-4-methyl-piperidine
CID 646254

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperidine (CID 2896830) is 1-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperidine is COc1ccc(OC)c(S(=O)(=O)N2C(C)CCCC2C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperidine?
The InChIKey is UZBLAPBMBANIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11-6-5-7-12(2)16(11)21(17,18)15-10-13(19-3)8-9-14(15)20-4/h8-12H,5-7H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperidine?
1-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperidine has a molecular weight of 313.42 g/mol, XLogP of 2.66, 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-2,6-dimethylpiperidine is sourced from PubChem (CID 2896830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).