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

C14H20N2O4S — CID 677809

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C14H20N2O4S/c1-2-15-5-7-16(8-6-15)21(17,18)12-3-4-13-14(11-12)20-10-9-19-13/h3-4,11H,2,5-10H2,1H3
InChIKeyVYUVLNRZUHSJJB-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.78
Rot. Bonds3

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

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylpiperazine (PubChem CID 677809) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylpiperazine
PubChem CID677809
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C14H20N2O4S/c1-2-15-5-7-16(8-6-15)21(17,18)12-3-4-13-14(11-12)20-10-9-19-13/h3-4,11H,2,5-10H2,1H3
InChIKeyVYUVLNRZUHSJJB-UHFFFAOYSA-N
XLogP0.78
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-((4-methoxyphenyl)sulfonyl)piperazine
CID 650361
1-((2,6-Difluorophenyl)sulfonyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 25210493
2,3-Dihydro-1,4-benzodioxine-6-sulfonamide
CID 2769942
1-[(4-Methoxyphenyl)sulfonyl]-4-methylpiperazine
CID 676048
1-(4-Chlorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 25243711
(2R)-1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylpiperazine
CID 25243730
3-[(3,4-Dimethoxyphenyl)sulfonyl]-1,3,5-triazabicyclo[3.2.1]octane
CID 1508673
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide
CID 1594288
1-Ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine
CID 2455954
2-[4-(3,4-Dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone
CID 3457818
1-Ethyl-4-((4-(2-methoxyphenoxy)phenyl)sulfonyl)piperazine
CID 1190535

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylpiperazine (CID 677809) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylpiperazine is CCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylpiperazine?
The InChIKey is VYUVLNRZUHSJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-15-5-7-16(8-6-15)21(17,18)12-3-4-13-14(11-12)20-10-9-19-13/h3-4,11H,2,5-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylpiperazine?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylpiperazine has a molecular weight of 312.39 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-ethylpiperazine is sourced from PubChem (CID 677809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).