4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine

C18H30N2O5S — CID 110602206

IUPAC4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
SMILESCOCCCN1C(C)CN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1C
InChIInChI=1S/C18H30N2O5S/c1-14-12-19(13-15(2)20(14)9-6-10-23-3)26(21,22)16-7-8-17(24-4)18(11-16)25-5/h7-8,11,14-15H,6,9-10,12-13H2,1-5H3
InChIKeyOKPTXZQRJGOTBW-UHFFFAOYSA-N
MW386.51 g/mol
LogP1.82
Rot. Bonds8

About 4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine

4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine (PubChem CID 110602206) has the molecular formula C18H30N2O5S and a molecular weight of 386.51 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
PubChem CID110602206
Molecular FormulaC18H30N2O5S
Molecular Weight386.51 g/mol
Exact Mass386.19
IUPAC Name4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
SMILESCOCCCN1C(C)CN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1C
InChIInChI=1S/C18H30N2O5S/c1-14-12-19(13-15(2)20(14)9-6-10-23-3)26(21,22)16-7-8-17(24-4)18(11-16)25-5/h7-8,11,14-15H,6,9-10,12-13H2,1-5H3
InChIKeyOKPTXZQRJGOTBW-UHFFFAOYSA-N
XLogP1.82
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine 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

4-(3-chlorophenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
CID 110602234
1-(3-methoxypropyl)-2,6-dimethyl-4-(3-nitrophenyl)sulfonylpiperazine
CID 110413086
1-(3-methoxypropyl)-2,6-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 110602203
(2R,5S)-1,4-bis[(3,4-dimethoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 23654829
(3aS,6aR)-5-(3,4-dimethoxyphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665492
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 51260705
4-ethylsulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine
CID 110413041
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methylpropyl)piperidine
CID 171593389
4-[2-[3-(3,4-dimethoxyphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl]ethoxy]benzonitrile
CID 22235625
3-[4-(2,5-dimethoxyphenyl)sulfonyl-2,6-dimethylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 110290553
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine (CID 110602206) is 4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine is COCCCN1C(C)CN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1C.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine?
The InChIKey is OKPTXZQRJGOTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O5S/c1-14-12-19(13-15(2)20(14)9-6-10-23-3)26(21,22)16-7-8-17(24-4)18(11-16)25-5/h7-8,11,14-15H,6,9-10,12-13H2,1-5H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine?
4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine has a molecular weight of 386.51 g/mol, XLogP of 1.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methoxypropyl)-2,6-dimethylpiperazine is sourced from PubChem (CID 110602206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).