4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide

C15H24N2O2S2 — CID 106089113

IUPAC4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCSC2)cc1CNC
InChIInChI=1S/C15H24N2O2S2/c1-3-13-4-5-15(8-14(13)10-16-2)21(18,19)17-9-12-6-7-20-11-12/h4-5,8,12,16-17H,3,6-7,9-11H2,1-2H3
InChIKeyVMVFOIBNWRHABY-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.00
Rot. Bonds7

About 4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide

4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide (PubChem CID 106089113) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
PubChem CID106089113
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCSC2)cc1CNC
InChIInChI=1S/C15H24N2O2S2/c1-3-13-4-5-15(8-14(13)10-16-2)21(18,19)17-9-12-6-7-20-11-12/h4-5,8,12,16-17H,3,6-7,9-11H2,1-2H3
InChIKeyVMVFOIBNWRHABY-UHFFFAOYSA-N
XLogP2.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(methylaminomethyl)-N-(thian-4-ylmethyl)benzenesulfonamide
CID 106078532
5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294844
4-(methylaminomethyl)-N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106089063
4-fluoro-3-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106063003
5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
CID 106089015
4-(2-aminoethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297050
4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089946
2-bromo-5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089115
5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
CID 106089167
4-hydroxy-3-nitro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297324
4-amino-3-nitro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297052
6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide
CID 107295654

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide (CID 106089113) is 4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)NCC2CCSC2)cc1CNC.
What is the InChIKey of 4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is VMVFOIBNWRHABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-13-4-5-15(8-14(13)10-16-2)21(18,19)17-9-12-6-7-20-11-12/h4-5,8,12,16-17H,3,6-7,9-11H2,1-2H3.
What are the key properties of 4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide?
4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106089113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).