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

C15H22N2O4S — CID 2455954

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C15H22N2O4S/c1-2-5-16-6-8-17(9-7-16)22(18,19)13-3-4-14-15(12-13)21-11-10-20-14/h3-4,12H,2,5-11H2,1H3
InChIKeyVWRKADXAGIKCOW-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.17
Rot. Bonds4

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

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine (PubChem CID 2455954) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine
PubChem CID2455954
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C15H22N2O4S/c1-2-5-16-6-8-17(9-7-16)22(18,19)13-3-4-14-15(12-13)21-11-10-20-14/h3-4,12H,2,5-11H2,1H3
InChIKeyVWRKADXAGIKCOW-UHFFFAOYSA-N
XLogP1.17
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine (CID 2455954) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine is CCCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine?
The InChIKey is VWRKADXAGIKCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-2-5-16-6-8-17(9-7-16)22(18,19)13-3-4-14-15(12-13)21-11-10-20-14/h3-4,12H,2,5-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine has a molecular weight of 326.42 g/mol, XLogP of 1.17, 4 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-propylpiperazine is sourced from PubChem (CID 2455954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).