3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide

C15H20N2O3S — CID 61424218

IUPAC3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
SMILESCc1occc1CN(C)S(=O)(=O)c1cccc(C(C)N)c1
InChIInChI=1S/C15H20N2O3S/c1-11(16)13-5-4-6-15(9-13)21(18,19)17(3)10-14-7-8-20-12(14)2/h4-9,11H,10,16H2,1-3H3
InChIKeyNHYKUWJYGZMTBD-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.43
Rot. Bonds5

About 3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide

3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide (PubChem CID 61424218) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
PubChem CID61424218
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
SMILESCc1occc1CN(C)S(=O)(=O)c1cccc(C(C)N)c1
InChIInChI=1S/C15H20N2O3S/c1-11(16)13-5-4-6-15(9-13)21(18,19)17(3)10-14-7-8-20-12(14)2/h4-9,11H,10,16H2,1-3H3
InChIKeyNHYKUWJYGZMTBD-UHFFFAOYSA-N
XLogP2.43
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide 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 3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide (CID 61424218) is 3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide is Cc1occc1CN(C)S(=O)(=O)c1cccc(C(C)N)c1.
What is the InChIKey of 3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
The InChIKey is NHYKUWJYGZMTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11(16)13-5-4-6-15(9-13)21(18,19)17(3)10-14-7-8-20-12(14)2/h4-9,11H,10,16H2,1-3H3.
What are the key properties of 3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide?
3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 61424218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).