3-[1-(ethylamino)ethyl]-N-methyl-N-(thiolan-3-yl)benzenesulfonamide

C15H24N2O2S2 — CID 43507113

IUPAC3-[1-(ethylamino)ethyl]-N-methyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCCNC(C)c1cccc(S(=O)(=O)N(C)C2CCSC2)c1
InChIInChI=1S/C15H24N2O2S2/c1-4-16-12(2)13-6-5-7-15(10-13)21(18,19)17(3)14-8-9-20-11-14/h5-7,10,12,14,16H,4,8-9,11H2,1-3H3
InChIKeyAOQBKQPSZCGGET-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.48
Rot. Bonds6

About 3-[1-(ethylamino)ethyl]-N-methyl-N-(thiolan-3-yl)benzenesulfonamide

3-[1-(ethylamino)ethyl]-N-methyl-N-(thiolan-3-yl)benzenesulfonamide (PubChem CID 43507113) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 3-[1-(ethylamino)ethyl]-N-methyl-N-(thiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(ethylamino)ethyl]-N-methyl-N-(thiolan-3-yl)benzenesulfonamide
PubChem CID43507113
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name3-[1-(ethylamino)ethyl]-N-methyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCCNC(C)c1cccc(S(=O)(=O)N(C)C2CCSC2)c1
InChIInChI=1S/C15H24N2O2S2/c1-4-16-12(2)13-6-5-7-15(10-13)21(18,19)17(3)14-8-9-20-11-14/h5-7,10,12,14,16H,4,8-9,11H2,1-3H3
InChIKeyAOQBKQPSZCGGET-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(ethylamino)ethyl]-N-methyl-N-(thiolan-3-yl)benzenesulfonamide 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

3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43265234
N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43507135
N-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide
CID 62145160
3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62408236
N-methyl-4-(methylamino)-N-(thiolan-3-yl)benzenesulfonamide
CID 43296997
3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43267394
3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 103910598
3-[1-(ethylamino)ethyl]-N-phenylbenzenesulfonamide
CID 43506659
N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 43506710
N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43507085
N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43507037
N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 61167664

Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)ethyl]-N-methyl-N-(thiolan-3-yl)benzenesulfonamide?
The IUPAC name of 3-[1-(ethylamino)ethyl]-N-methyl-N-(thiolan-3-yl)benzenesulfonamide (CID 43507113) is 3-[1-(ethylamino)ethyl]-N-methyl-N-(thiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-[1-(ethylamino)ethyl]-N-methyl-N-(thiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-[1-(ethylamino)ethyl]-N-methyl-N-(thiolan-3-yl)benzenesulfonamide is CCNC(C)c1cccc(S(=O)(=O)N(C)C2CCSC2)c1.
What is the InChIKey of 3-[1-(ethylamino)ethyl]-N-methyl-N-(thiolan-3-yl)benzenesulfonamide?
The InChIKey is AOQBKQPSZCGGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-4-16-12(2)13-6-5-7-15(10-13)21(18,19)17(3)14-8-9-20-11-14/h5-7,10,12,14,16H,4,8-9,11H2,1-3H3.
What are the key properties of 3-[1-(ethylamino)ethyl]-N-methyl-N-(thiolan-3-yl)benzenesulfonamide?
3-[1-(ethylamino)ethyl]-N-methyl-N-(thiolan-3-yl)benzenesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)ethyl]-N-methyl-N-(thiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 43507113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).