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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Related Compounds

1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-((4-methoxyphenyl)sulfonyl)piperazine
CID 650361
(2R)-1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylpiperazine
CID 25243730
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-propylpiperazine
CID 2455954
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(3-methoxyphenyl)sulfonylpiperazine
CID 25243709
1-(Benzenesulfonyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 25243713
(2S)-4-(2,6-difluorophenyl)sulfonyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylpiperazine
CID 25243735
(2S)-1-(2,6-difluorophenyl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methylpiperazine
CID 25243736
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-2,6-difluorobenzenesulfonamide
CID 25243797
1-[1-(1,3-Benzodioxol-4-ylsulfonyl)piperidin-4-yl]-4-methylpiperidine
CID 138628016
1-[1-(3,4-Dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146628301
1-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-4-ethanesulfonyl-piperazine
CID 3226798
1-{[4-(2-Methoxyphenoxy)phenyl]sulfonyl}-2-methylpiperidine
CID 3497445

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).