1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-ethylsulfonylpiperazine

C19H31N3O6S3 — CID 651007

IUPAC1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-ethylsulfonylpiperazine
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC)CC2)cc1
InChIInChI=1S/C19H31N3O6S3/c1-3-17-7-5-6-12-22(17)31(27,28)19-10-8-18(9-11-19)30(25,26)21-15-13-20(14-16-21)29(23,24)4-2/h8-11,17H,3-7,12-16H2,1-2H3
InChIKeyUCJGPAVDGPBETA-UHFFFAOYSA-N
MW493.67 g/mol
LogP1.30
Rot. Bonds7

About 1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-ethylsulfonylpiperazine

1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-ethylsulfonylpiperazine (PubChem CID 651007) has the molecular formula C19H31N3O6S3 and a molecular weight of 493.67 g/mol. Its IUPAC name is 1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-ethylsulfonylpiperazine
PubChem CID651007
Molecular FormulaC19H31N3O6S3
Molecular Weight493.67 g/mol
Exact Mass493.14
IUPAC Name1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-ethylsulfonylpiperazine
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC)CC2)cc1
InChIInChI=1S/C19H31N3O6S3/c1-3-17-7-5-6-12-22(17)31(27,28)19-10-8-18(9-11-19)30(25,26)21-15-13-20(14-16-21)29(23,24)4-2/h8-11,17H,3-7,12-16H2,1-2H3
InChIKeyUCJGPAVDGPBETA-UHFFFAOYSA-N
XLogP1.30
TPSA112.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.67
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-ethylsulfonylpiperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-ethylsulfonylpiperazine?
The IUPAC name of 1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-ethylsulfonylpiperazine (CID 651007) is 1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-ethylsulfonylpiperazine is CCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC)CC2)cc1.
What is the InChIKey of 1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-ethylsulfonylpiperazine?
The InChIKey is UCJGPAVDGPBETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O6S3/c1-3-17-7-5-6-12-22(17)31(27,28)19-10-8-18(9-11-19)30(25,26)21-15-13-20(14-16-21)29(23,24)4-2/h8-11,17H,3-7,12-16H2,1-2H3.
What are the key properties of 1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-ethylsulfonylpiperazine?
1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-ethylsulfonylpiperazine has a molecular weight of 493.67 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-ethylsulfonylpiperazine is sourced from PubChem (CID 651007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).