1-ethyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine

C17H28N2O2S — CID 19682857

IUPAC1-ethyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1
InChIInChI=1S/C17H28N2O2S/c1-7-18-8-10-19(11-9-18)22(20,21)17-15(5)13(3)12(2)14(4)16(17)6/h7-11H2,1-6H3
InChIKeyWWHVMMALBQTAEP-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.55
Rot. Bonds3

About 1-ethyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine

1-ethyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine (PubChem CID 19682857) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 1-ethyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
PubChem CID19682857
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name1-ethyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1
InChIInChI=1S/C17H28N2O2S/c1-7-18-8-10-19(11-9-18)22(20,21)17-15(5)13(3)12(2)14(4)16(17)6/h7-11H2,1-6H3
InChIKeyWWHVMMALBQTAEP-UHFFFAOYSA-N
XLogP2.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9221061
2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 30172111
ethyl N-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 9367695
1-[(4-fluorophenyl)methyl]-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 3847753
1-[(4-tert-butylphenyl)methyl]-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 17349682
1-(4-methylphenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 22772839
4-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 39983265
1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]pentane-1,4-dione
CID 9221068
1-[2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one
CID 9367747
2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 32711265
N-tert-butyl-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 8843449
1-ethyl-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 6469732

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-ethyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine (CID 19682857) is 1-ethyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-ethyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-ethyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine is CCN1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1.
What is the InChIKey of 1-ethyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine?
The InChIKey is WWHVMMALBQTAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-7-18-8-10-19(11-9-18)22(20,21)17-15(5)13(3)12(2)14(4)16(17)6/h7-11H2,1-6H3.
What are the key properties of 1-ethyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine?
1-ethyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine has a molecular weight of 324.49 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 19682857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).