5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide

C12H12N2O4S2 — CID 43332813

IUPAC5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C12H12N2O4S2/c13-6-9-2-4-12(19-9)20(15,16)14-8-1-3-10-11(5-8)18-7-17-10/h1-5,14H,6-7,13H2
InChIKeySDVORGNPBNAAPO-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.74
Rot. Bonds4

About 5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide

5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide (PubChem CID 43332813) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
PubChem CID43332813
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC Name5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C12H12N2O4S2/c13-6-9-2-4-12(19-9)20(15,16)14-8-1-3-10-11(5-8)18-7-17-10/h1-5,14H,6-7,13H2
InChIKeySDVORGNPBNAAPO-UHFFFAOYSA-N
XLogP1.74
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-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

5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43155731
5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide
CID 43155736
N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 651313
N-(1,3-benzodioxol-5-yl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53111983
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
CID 1296568
N-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 169284611
5-(aminomethyl)-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 79240386
5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)-1-methylpyrrole-3-sulfonamide
CID 106023600
N-(1,3-benzodioxol-5-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide
CID 3842403
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide
CID 26951283

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide (CID 43332813) is 5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide is NCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)s1.
What is the InChIKey of 5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide?
The InChIKey is SDVORGNPBNAAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c13-6-9-2-4-12(19-9)20(15,16)14-8-1-3-10-11(5-8)18-7-17-10/h1-5,14H,6-7,13H2.
What are the key properties of 5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide has a molecular weight of 312.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 43332813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).