N-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide

C14H20N2O5S — CID 110642960

IUPACN-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NOCCN1CCCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O5S/c17-22(18,12-4-5-13-14(10-12)20-11-19-13)15-21-9-8-16-6-2-1-3-7-16/h4-5,10,15H,1-3,6-9,11H2
InChIKeyODFQKWWJEJOBGF-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.11
Rot. Bonds6

About N-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide

N-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide (PubChem CID 110642960) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide
PubChem CID110642960
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC NameN-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NOCCN1CCCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O5S/c17-22(18,12-4-5-13-14(10-12)20-11-19-13)15-21-9-8-16-6-2-1-3-7-16/h4-5,10,15H,1-3,6-9,11H2
InChIKeyODFQKWWJEJOBGF-UHFFFAOYSA-N
XLogP1.11
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide
CID 110642725
3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 110643116
N-(2-piperidin-1-ylsulfonylethyl)-1,3-benzodioxole-5-sulfonamide
CID 110287605
N-(2-methoxy-5-piperidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110359714
N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,3-benzodioxole-5-sulfonamide
CID 42344402
3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 110417469
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
CID 12816916
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide
CID 110778061
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110361952
4-[2-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]ethyl]morpholine
CID 113073744
N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-sulfonamide
CID 112981618
1-[3-[4-(1,3-benzodioxol-5-yl)phenoxy]propyl]piperidine
CID 56657939

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide (CID 110642960) is N-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide is O=S(=O)(NOCCN1CCCCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide?
The InChIKey is ODFQKWWJEJOBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c17-22(18,12-4-5-13-14(10-12)20-11-19-13)15-21-9-8-16-6-2-1-3-7-16/h4-5,10,15H,1-3,6-9,11H2.
What are the key properties of N-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide?
N-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide has a molecular weight of 328.39 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110642960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).