N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]cyclopropanesulfonamide

C17H24N2O4S — CID 90609072

IUPACN-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCN1CCCC1c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C17H24N2O4S/c20-24(21,14-4-5-14)18-7-9-19-8-1-2-15(19)13-3-6-16-17(12-13)23-11-10-22-16/h3,6,12,14-15,18H,1-2,4-5,7-11H2
InChIKeyKFKHIIJTVKSNAC-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.68
Rot. Bonds6

About N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]cyclopropanesulfonamide

N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]cyclopropanesulfonamide (PubChem CID 90609072) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]cyclopropanesulfonamide
PubChem CID90609072
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCN1CCCC1c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C17H24N2O4S/c20-24(21,14-4-5-14)18-7-9-19-8-1-2-15(19)13-3-6-16-17(12-13)23-11-10-22-16/h3,6,12,14-15,18H,1-2,4-5,7-11H2
InChIKeyKFKHIIJTVKSNAC-UHFFFAOYSA-N
XLogP1.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]propane-2-sulfonamide
CID 90609074
N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90609083
N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2,4-difluorobenzenesulfonamide
CID 90609048
(E)-N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-phenylethenesulfonamide
CID 90609060
N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 90609053
4-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]butanenitrile
CID 94468427
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-methoxypropyl)pyrrolidine
CID 94394264
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-methoxypropyl)pyrrolidine
CID 94394263
1-[2-(2,5-dichlorophenyl)sulfonylethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 46802382
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine
CID 146419289
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86908492
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-sulfonamide
CID 154771448

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]cyclopropanesulfonamide (CID 90609072) is N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]cyclopropanesulfonamide is O=S(=O)(NCCN1CCCC1c1ccc2c(c1)OCCO2)C1CC1.
What is the InChIKey of N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]cyclopropanesulfonamide?
The InChIKey is KFKHIIJTVKSNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c20-24(21,14-4-5-14)18-7-9-19-8-1-2-15(19)13-3-6-16-17(12-13)23-11-10-22-16/h3,6,12,14-15,18H,1-2,4-5,7-11H2.
What are the key properties of N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]cyclopropanesulfonamide?
N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]cyclopropanesulfonamide has a molecular weight of 352.46 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 90609072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).