N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide

C15H22N2O4S — CID 99130922

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cccc3c2OCCO3)CC1
InChIInChI=1S/C15H22N2O4S/c1-16-8-6-12(7-9-16)17(2)22(18,19)14-5-3-4-13-15(14)21-11-10-20-13/h3-5,12H,6-11H2,1-2H3
InChIKeyVRBPORPRVMBOKQ-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.17
Rot. Bonds3

About N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide

N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide (PubChem CID 99130922) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide
PubChem CID99130922
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cccc3c2OCCO3)CC1
InChIInChI=1S/C15H22N2O4S/c1-16-8-6-12(7-9-16)17(2)22(18,19)14-5-3-4-13-15(14)21-11-10-20-13/h3-5,12H,6-11H2,1-2H3
InChIKeyVRBPORPRVMBOKQ-UHFFFAOYSA-N
XLogP1.17
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
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 N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide (CID 99130922) is N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide is CN1CCC(N(C)S(=O)(=O)c2cccc3c2OCCO3)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide?
The InChIKey is VRBPORPRVMBOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-16-8-6-12(7-9-16)17(2)22(18,19)14-5-3-4-13-15(14)21-11-10-20-13/h3-5,12H,6-11H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide?
N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide is sourced from PubChem (CID 99130922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).