5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide

C13H20N2O2S2 — CID 107294844

IUPAC5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCC1CCSC1
InChIInChI=1S/C13H20N2O2S2/c1-2-11-3-4-12(14)7-13(11)19(16,17)15-8-10-5-6-18-9-10/h3-4,7,10,15H,2,5-6,8-9,14H2,1H3
InChIKeyVTKQKYPYLGDLNK-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.86
Rot. Bonds5

About 5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide

5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide (PubChem CID 107294844) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
PubChem CID107294844
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCC1CCSC1
InChIInChI=1S/C13H20N2O2S2/c1-2-11-3-4-12(14)7-13(11)19(16,17)15-8-10-5-6-18-9-10/h3-4,7,10,15H,2,5-6,8-9,14H2,1H3
InChIKeyVTKQKYPYLGDLNK-UHFFFAOYSA-N
XLogP1.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-cyano-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294800
6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide
CID 107297048
5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294823
4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089113
5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294857
5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089158
4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide
CID 43255757
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide
CID 43256436
4-(2-aminoethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297050
2-bromo-5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089115
5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
CID 113303506

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide (CID 107294844) is 5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)NCC1CCSC1.
What is the InChIKey of 5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is VTKQKYPYLGDLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-2-11-3-4-12(14)7-13(11)19(16,17)15-8-10-5-6-18-9-10/h3-4,7,10,15H,2,5-6,8-9,14H2,1H3.
What are the key properties of 5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide?
5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 300.45 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 107294844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).