1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine

C14H21NO6S2 — CID 90585253

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1OC
InChIInChI=1S/C14H21NO6S2/c1-20-13-5-4-12(10-14(13)21-2)23(18,19)15-8-6-11(7-9-15)22(3,16)17/h4-5,10-11H,6-9H2,1-3H3
InChIKeyQNPQCDCGAJTTMP-UHFFFAOYSA-N
MW363.46 g/mol
LogP0.90
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine

1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine (PubChem CID 90585253) has the molecular formula C14H21NO6S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
PubChem CID90585253
Molecular FormulaC14H21NO6S2
Molecular Weight363.46 g/mol
Exact Mass363.08
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1OC
InChIInChI=1S/C14H21NO6S2/c1-20-13-5-4-12(10-14(13)21-2)23(18,19)15-8-6-11(7-9-15)22(3,16)17/h4-5,10-11H,6-9H2,1-3H3
InChIKeyQNPQCDCGAJTTMP-UHFFFAOYSA-N
XLogP0.90
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584724
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methylpropyl)piperidine
CID 171593389
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397
1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine
CID 121165181
4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine
CID 121187227
1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17468522
1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031833
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585261
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396998

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine (CID 90585253) is 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine is COc1ccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine?
The InChIKey is QNPQCDCGAJTTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO6S2/c1-20-13-5-4-12(10-14(13)21-2)23(18,19)15-8-6-11(7-9-15)22(3,16)17/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine?
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine has a molecular weight of 363.46 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine is sourced from PubChem (CID 90585253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).