4-ethoxy-3-(methylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide

C14H22N2O3S2 — CID 106086442

IUPAC4-ethoxy-3-(methylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCSC2)cc1CNC
InChIInChI=1S/C14H22N2O3S2/c1-3-19-14-5-4-13(8-11(14)9-15-2)21(17,18)16-12-6-7-20-10-12/h4-5,8,12,15-16H,3,6-7,9-10H2,1-2H3
InChIKeyFDOQZJQGMMZYQH-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.59
Rot. Bonds7

About 4-ethoxy-3-(methylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide

4-ethoxy-3-(methylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide (PubChem CID 106086442) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-ethoxy-3-(methylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-(methylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
PubChem CID106086442
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name4-ethoxy-3-(methylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCSC2)cc1CNC
InChIInChI=1S/C14H22N2O3S2/c1-3-19-14-5-4-13(8-11(14)9-15-2)21(17,18)16-12-6-7-20-10-12/h4-5,8,12,15-16H,3,6-7,9-10H2,1-2H3
InChIKeyFDOQZJQGMMZYQH-UHFFFAOYSA-N
XLogP1.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032258
4-ethoxy-3-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031601
4-chloro-3-fluoro-5-(methylaminomethyl)-N-(thian-3-yl)benzenesulfonamide
CID 106081584
4-ethoxy-3-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081343
3-(ethylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 106086182
4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089113
4-hydroxy-N-(thiolan-3-yl)benzenesulfonamide
CID 103063928
4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103697977
N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106093079
3-(1-aminopropyl)-N-(thiolan-3-yl)benzenesulfonamide
CID 103063575
3-(aminomethyl)-4-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084469
4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide
CID 25248820

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-(methylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-(methylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide (CID 106086442) is 4-ethoxy-3-(methylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-(methylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-(methylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NC2CCSC2)cc1CNC.
What is the InChIKey of 4-ethoxy-3-(methylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide?
The InChIKey is FDOQZJQGMMZYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-3-19-14-5-4-13(8-11(14)9-15-2)21(17,18)16-12-6-7-20-10-12/h4-5,8,12,15-16H,3,6-7,9-10H2,1-2H3.
What are the key properties of 4-ethoxy-3-(methylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide?
4-ethoxy-3-(methylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide has a molecular weight of 330.48 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-(methylaminomethyl)-N-(thiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106086442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).