3-(1,3-benzodioxol-5-yloxy)-N-cyclopropylpropane-1-sulfonamide

C13H17NO5S — CID 16884275

IUPAC3-(1,3-benzodioxol-5-yloxy)-N-cyclopropylpropane-1-sulfonamide
SMILESO=S(=O)(CCCOc1ccc2c(c1)OCO2)NC1CC1
InChIInChI=1S/C13H17NO5S/c15-20(16,14-10-2-3-10)7-1-6-17-11-4-5-12-13(8-11)19-9-18-12/h4-5,8,10,14H,1-3,6-7,9H2
InChIKeyTXZIKLGRMWKBKI-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.27
Rot. Bonds7

About 3-(1,3-benzodioxol-5-yloxy)-N-cyclopropylpropane-1-sulfonamide

3-(1,3-benzodioxol-5-yloxy)-N-cyclopropylpropane-1-sulfonamide (PubChem CID 16884275) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yloxy)-N-cyclopropylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yloxy)-N-cyclopropylpropane-1-sulfonamide
PubChem CID16884275
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name3-(1,3-benzodioxol-5-yloxy)-N-cyclopropylpropane-1-sulfonamide
SMILESO=S(=O)(CCCOc1ccc2c(c1)OCO2)NC1CC1
InChIInChI=1S/C13H17NO5S/c15-20(16,14-10-2-3-10)7-1-6-17-11-4-5-12-13(8-11)19-9-18-12/h4-5,8,10,14H,1-3,6-7,9H2
InChIKeyTXZIKLGRMWKBKI-UHFFFAOYSA-N
XLogP1.27
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-benzodioxol-5-yloxy)-N-ethylpropane-1-sulfonamide
CID 16884230
3-(1,3-benzodioxol-5-yloxy)propane-1-sulfonate
CID 20593635
3-(1,3-benzodioxol-5-yloxy)-N-[(2S)-butan-2-yl]propane-1-sulfonamide
CID 25280640
3-(1,3-benzodioxol-5-yloxy)-N-[(4-fluorophenyl)methyl]propane-1-sulfonamide
CID 16884247
3-(1,3-benzodioxol-5-yloxy)-N,N-bis(prop-2-enyl)propane-1-sulfonamide
CID 16884291
1-[3-(1,3-benzodioxol-5-yloxy)propylsulfonyl]-3-methylpiperidine
CID 16884211
4-[3-(1,3-benzodioxol-5-yloxy)propylsulfonyl]piperazine-1-carbaldehyde
CID 16884285
N-[2-(cycloheptylsulfamoyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 7423397
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 30366380
1-[3-(1,3-benzodioxol-5-yloxy)propylsulfonyl]-4-(2-chlorophenyl)piperazine
CID 16884222
2-(1,3-benzodioxol-5-yloxy)-1-cyclopentylethanamine
CID 104748816
2-[2-(1,3-benzodioxol-5-yloxy)ethyl]cyclopentan-1-one
CID 79565192

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yloxy)-N-cyclopropylpropane-1-sulfonamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yloxy)-N-cyclopropylpropane-1-sulfonamide (CID 16884275) is 3-(1,3-benzodioxol-5-yloxy)-N-cyclopropylpropane-1-sulfonamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yloxy)-N-cyclopropylpropane-1-sulfonamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yloxy)-N-cyclopropylpropane-1-sulfonamide is O=S(=O)(CCCOc1ccc2c(c1)OCO2)NC1CC1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yloxy)-N-cyclopropylpropane-1-sulfonamide?
The InChIKey is TXZIKLGRMWKBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c15-20(16,14-10-2-3-10)7-1-6-17-11-4-5-12-13(8-11)19-9-18-12/h4-5,8,10,14H,1-3,6-7,9H2.
What are the key properties of 3-(1,3-benzodioxol-5-yloxy)-N-cyclopropylpropane-1-sulfonamide?
3-(1,3-benzodioxol-5-yloxy)-N-cyclopropylpropane-1-sulfonamide has a molecular weight of 299.35 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yloxy)-N-cyclopropylpropane-1-sulfonamide is sourced from PubChem (CID 16884275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).