2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide

C12H20N2O3S2 — CID 106092082

IUPAC2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccsc1CN)C1CCOCC1
InChIInChI=1S/C12H20N2O3S2/c1-9(10-2-5-17-6-3-10)14-19(15,16)12-4-7-18-11(12)8-13/h4,7,9-10,14H,2-3,5-6,8,13H2,1H3
InChIKeyZQJXELIRZOVBAG-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.30
Rot. Bonds5

About 2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide

2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106092082) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106092082
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccsc1CN)C1CCOCC1
InChIInChI=1S/C12H20N2O3S2/c1-9(10-2-5-17-6-3-10)14-19(15,16)12-4-7-18-11(12)8-13/h4,7,9-10,14H,2-3,5-6,8,13H2,1H3
InChIKeyZQJXELIRZOVBAG-UHFFFAOYSA-N
XLogP1.30
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-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

2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092094
5-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092055
2-(aminomethyl)-N-(4-methylhexan-2-yl)thiophene-3-sulfonamide
CID 114141469
2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106012613
2-(aminomethyl)-N-(2,2,3-trimethylbutyl)thiophene-3-sulfonamide
CID 114102326
5-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)thiophene-3-sulfonamide
CID 114134381
2-(aminomethyl)-N-[1-(4-fluorophenyl)propan-2-yl]thiophene-3-sulfonamide
CID 106062308
4-methyl-5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-2-sulfonamide
CID 106092072
5-(aminomethyl)-2-bromo-N-(1-cyclobutylethyl)thiophene-3-sulfonamide
CID 106084947
N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106072385
5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide
CID 106066036
2-(aminomethyl)-N-(2,2-dimethylcyclopentyl)thiophene-3-sulfonamide
CID 106071021

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide (CID 106092082) is 2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide is CC(NS(=O)(=O)c1ccsc1CN)C1CCOCC1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is ZQJXELIRZOVBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-9(10-2-5-17-6-3-10)14-19(15,16)12-4-7-18-11(12)8-13/h4,7,9-10,14H,2-3,5-6,8,13H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide?
2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106092082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).