3-(1,3-benzodioxol-5-yloxy)-N,N-bis(prop-2-enyl)propane-1-sulfonamide

C16H21NO5S — CID 16884291

IUPAC3-(1,3-benzodioxol-5-yloxy)-N,N-bis(prop-2-enyl)propane-1-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)CCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C16H21NO5S/c1-3-8-17(9-4-2)23(18,19)11-5-10-20-14-6-7-15-16(12-14)22-13-21-15/h3-4,6-7,12H,1-2,5,8-11,13H2
InChIKeyALZZVGKTCQEWQW-UHFFFAOYSA-N
MW339.41 g/mol
LogP2.19
Rot. Bonds10

About 3-(1,3-benzodioxol-5-yloxy)-N,N-bis(prop-2-enyl)propane-1-sulfonamide

3-(1,3-benzodioxol-5-yloxy)-N,N-bis(prop-2-enyl)propane-1-sulfonamide (PubChem CID 16884291) has the molecular formula C16H21NO5S and a molecular weight of 339.41 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yloxy)-N,N-bis(prop-2-enyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yloxy)-N,N-bis(prop-2-enyl)propane-1-sulfonamide
PubChem CID16884291
Molecular FormulaC16H21NO5S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC Name3-(1,3-benzodioxol-5-yloxy)-N,N-bis(prop-2-enyl)propane-1-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)CCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C16H21NO5S/c1-3-8-17(9-4-2)23(18,19)11-5-10-20-14-6-7-15-16(12-14)22-13-21-15/h3-4,6-7,12H,1-2,5,8-11,13H2
InChIKeyALZZVGKTCQEWQW-UHFFFAOYSA-N
XLogP2.19
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-benzodioxol-5-yl N,N-dimethylsulfamate
CID 8721872
Ethyl 1-((3-(benzo[d][1,3]dioxol-5-yloxy)propyl)sulfonyl)piperidine-4-carboxylate
CID 16884214
Ethyl 4-((3-(benzo[d][1,3]dioxol-5-yloxy)propyl)sulfonyl)piperazine-1-carboxylate
CID 16884220
3-(benzo[d][1,3]dioxol-5-yloxy)-N-methylpropane-1-sulfonamide
CID 16884229
3-(benzo[d][1,3]dioxol-5-yloxy)-N-propylpropane-1-sulfonamide
CID 16884231
1-(4-((3-(Benzo[d][1,3]dioxol-5-yloxy)propyl)sulfonyl)piperazin-1-yl)ethanone
CID 16884271
N-(2-(benzo[d][1,3]dioxol-5-yloxy)ethyl)methanesulfonamide
CID 30867240
N-(2-(benzo[d][1,3]dioxol-5-yloxy)ethyl)benzenesulfonamide
CID 30867259
CID 134787776
CID 134787776
1-((3-(Benzo[d][1,3]dioxol-5-yloxy)propyl)sulfonyl)pyrrolidine
CID 16884209
1-((3-(Benzo[d][1,3]dioxol-5-yloxy)propyl)sulfonyl)-3,5-dimethylpiperidine
CID 16884217
N-(2-(benzo[d][1,3]dioxol-5-yloxy)ethyl)-1-phenylmethanesulfonamide
CID 30867318

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yloxy)-N,N-bis(prop-2-enyl)propane-1-sulfonamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yloxy)-N,N-bis(prop-2-enyl)propane-1-sulfonamide (CID 16884291) is 3-(1,3-benzodioxol-5-yloxy)-N,N-bis(prop-2-enyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yloxy)-N,N-bis(prop-2-enyl)propane-1-sulfonamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yloxy)-N,N-bis(prop-2-enyl)propane-1-sulfonamide is C=CCN(CC=C)S(=O)(=O)CCCOc1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yloxy)-N,N-bis(prop-2-enyl)propane-1-sulfonamide?
The InChIKey is ALZZVGKTCQEWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5S/c1-3-8-17(9-4-2)23(18,19)11-5-10-20-14-6-7-15-16(12-14)22-13-21-15/h3-4,6-7,12H,1-2,5,8-11,13H2.
What are the key properties of 3-(1,3-benzodioxol-5-yloxy)-N,N-bis(prop-2-enyl)propane-1-sulfonamide?
3-(1,3-benzodioxol-5-yloxy)-N,N-bis(prop-2-enyl)propane-1-sulfonamide has a molecular weight of 339.41 g/mol, XLogP of 2.19, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yloxy)-N,N-bis(prop-2-enyl)propane-1-sulfonamide is sourced from PubChem (CID 16884291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).