1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine

C15H23NO4S — CID 6463939

IUPAC1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine
SMILESCOc1cc(S(=O)(=O)N2CCC(C)CC2)c(OC)cc1C
InChIInChI=1S/C15H23NO4S/c1-11-5-7-16(8-6-11)21(17,18)15-10-13(19-3)12(2)9-14(15)20-4/h9-11H,5-8H2,1-4H3
InChIKeyDLQCAXNSZROZTB-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.43
Rot. Bonds4

About 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine

1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine (PubChem CID 6463939) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine
PubChem CID6463939
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine
SMILESCOc1cc(S(=O)(=O)N2CCC(C)CC2)c(OC)cc1C
InChIInChI=1S/C15H23NO4S/c1-11-5-7-16(8-6-11)21(17,18)15-10-13(19-3)12(2)9-14(15)20-4/h9-11H,5-8H2,1-4H3
InChIKeyDLQCAXNSZROZTB-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6458543
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 43845453
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 3144185
1-[4-(2,5-dimethoxy-4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817224
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
(3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7314523
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 11841663
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 6464219
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590318
1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 110295630

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine?
The IUPAC name of 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine (CID 6463939) is 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine is COc1cc(S(=O)(=O)N2CCC(C)CC2)c(OC)cc1C.
What is the InChIKey of 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine?
The InChIKey is DLQCAXNSZROZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11-5-7-16(8-6-11)21(17,18)15-10-13(19-3)12(2)9-14(15)20-4/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine?
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine has a molecular weight of 313.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine is sourced from PubChem (CID 6463939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).