1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-pyrazol-1-ylcyclopropyl)methyl]methanesulfonamide

C16H19N3O4S — CID 136571220

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-pyrazol-1-ylcyclopropyl)methyl]methanesulfonamide
SMILESO=S(=O)(CC1COc2ccccc2O1)NCC1(n2cccn2)CC1
InChIInChI=1S/C16H19N3O4S/c20-24(21,18-12-16(6-7-16)19-9-3-8-17-19)11-13-10-22-14-4-1-2-5-15(14)23-13/h1-5,8-9,13,18H,6-7,10-12H2
InChIKeyVIGGOGVSDNDPTI-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.13
Rot. Bonds6

About 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-pyrazol-1-ylcyclopropyl)methyl]methanesulfonamide

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-pyrazol-1-ylcyclopropyl)methyl]methanesulfonamide (PubChem CID 136571220) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-pyrazol-1-ylcyclopropyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-pyrazol-1-ylcyclopropyl)methyl]methanesulfonamide
PubChem CID136571220
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-pyrazol-1-ylcyclopropyl)methyl]methanesulfonamide
SMILESO=S(=O)(CC1COc2ccccc2O1)NCC1(n2cccn2)CC1
InChIInChI=1S/C16H19N3O4S/c20-24(21,18-12-16(6-7-16)19-9-3-8-17-19)11-13-10-22-14-4-1-2-5-15(14)23-13/h1-5,8-9,13,18H,6-7,10-12H2
InChIKeyVIGGOGVSDNDPTI-UHFFFAOYSA-N
XLogP1.13
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanesulfonyl chloride
CID 98488242
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]pyrazole
CID 129497522
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122262236
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide
CID 121149704
ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine
CID 91396275
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propane-1-sulfonamide
CID 61250075
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(methylsulfamoyl)ethanamine
CID 70950703
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 90626917
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-pyrazol-1-ylacetamide
CID 94017188
5-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 154884077
(2S)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 30606582

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-pyrazol-1-ylcyclopropyl)methyl]methanesulfonamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-pyrazol-1-ylcyclopropyl)methyl]methanesulfonamide (CID 136571220) is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-pyrazol-1-ylcyclopropyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-pyrazol-1-ylcyclopropyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-pyrazol-1-ylcyclopropyl)methyl]methanesulfonamide is O=S(=O)(CC1COc2ccccc2O1)NCC1(n2cccn2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-pyrazol-1-ylcyclopropyl)methyl]methanesulfonamide?
The InChIKey is VIGGOGVSDNDPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c20-24(21,18-12-16(6-7-16)19-9-3-8-17-19)11-13-10-22-14-4-1-2-5-15(14)23-13/h1-5,8-9,13,18H,6-7,10-12H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-pyrazol-1-ylcyclopropyl)methyl]methanesulfonamide?
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-pyrazol-1-ylcyclopropyl)methyl]methanesulfonamide has a molecular weight of 349.41 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-pyrazol-1-ylcyclopropyl)methyl]methanesulfonamide is sourced from PubChem (CID 136571220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).