5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide

C15H18N2O2S2 — CID 106266202

IUPAC5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide
SMILESCN(C1CCc2ccccc21)S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C15H18N2O2S2/c1-17(14-8-6-11-4-2-3-5-13(11)14)21(18,19)15-9-7-12(10-16)20-15/h2-5,7,9,14H,6,8,10,16H2,1H3
InChIKeyTYQVLWMPELCJDZ-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.51
Rot. Bonds4

About 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide

5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide (PubChem CID 106266202) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide
PubChem CID106266202
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide
SMILESCN(C1CCc2ccccc21)S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C15H18N2O2S2/c1-17(14-8-6-11-4-2-3-5-13(11)14)21(18,19)15-9-7-12(10-16)20-15/h2-5,7,9,14H,6,8,10,16H2,1H3
InChIKeyTYQVLWMPELCJDZ-UHFFFAOYSA-N
XLogP2.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-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

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide (CID 106266202) is 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide is CN(C1CCc2ccccc21)S(=O)(=O)c1ccc(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide?
The InChIKey is TYQVLWMPELCJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-17(14-8-6-11-4-2-3-5-13(11)14)21(18,19)15-9-7-12(10-16)20-15/h2-5,7,9,14H,6,8,10,16H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide?
5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide has a molecular weight of 322.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106266202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).