1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylsulfonylpiperazine

C14H20N2O6S2 — CID 3226798

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C14H20N2O6S2/c1-2-23(17,18)15-5-7-16(8-6-15)24(19,20)12-3-4-13-14(11-12)22-10-9-21-13/h3-4,11H,2,5-10H2,1H3
InChIKeyMJMVNACHAAVAOK-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.11
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylsulfonylpiperazine

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylsulfonylpiperazine (PubChem CID 3226798) has the molecular formula C14H20N2O6S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylsulfonylpiperazine
PubChem CID3226798
Molecular FormulaC14H20N2O6S2
Molecular Weight376.46 g/mol
Exact Mass376.08
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylsulfonylpiperazine
SMILESCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C14H20N2O6S2/c1-2-23(17,18)15-5-7-16(8-6-15)24(19,20)12-3-4-13-14(11-12)22-10-9-21-13/h3-4,11H,2,5-10H2,1H3
InChIKeyMJMVNACHAAVAOK-UHFFFAOYSA-N
XLogP0.11
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylsulfonylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylsulfonylpiperazine (CID 3226798) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylsulfonylpiperazine is CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylsulfonylpiperazine?
The InChIKey is MJMVNACHAAVAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S2/c1-2-23(17,18)15-5-7-16(8-6-15)24(19,20)12-3-4-13-14(11-12)22-10-9-21-13/h3-4,11H,2,5-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylsulfonylpiperazine?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylsulfonylpiperazine has a molecular weight of 376.46 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylsulfonylpiperazine is sourced from PubChem (CID 3226798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).