5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide

C13H20N2O2S2 — CID 106089158

IUPAC5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(CN)cc1S(=O)(=O)NCC1CCSC1
InChIInChI=1S/C13H20N2O2S2/c1-10-2-3-11(7-14)6-13(10)19(16,17)15-8-12-4-5-18-9-12/h2-3,6,12,15H,4-5,7-9,14H2,1H3
InChIKeyWXBGTHKMZKBLAV-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.49
Rot. Bonds5

About 5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide

5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide (PubChem CID 106089158) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
PubChem CID106089158
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC Name5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(CN)cc1S(=O)(=O)NCC1CCSC1
InChIInChI=1S/C13H20N2O2S2/c1-10-2-3-11(7-14)6-13(10)19(16,17)15-8-12-4-5-18-9-12/h2-3,6,12,15H,4-5,7-9,14H2,1H3
InChIKeyWXBGTHKMZKBLAV-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106327381
2-bromo-5-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089115
1-[3-(aminomethyl)phenyl]-N-(thiolan-3-ylmethyl)methanesulfonamide
CID 106089007
4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide
CID 106996679
4-(2-aminoethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297050
5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294844
2-hydroxy-4-methyl-5-(thiolan-3-ylmethylsulfamoyl)benzoic acid
CID 107295072
5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294857
4-(aminomethyl)-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 106052902
5-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-2-methylbenzenesulfonamide
CID 54926307
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide
CID 106024888
5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 106062370

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide (CID 106089158) is 5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide is Cc1ccc(CN)cc1S(=O)(=O)NCC1CCSC1.
What is the InChIKey of 5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is WXBGTHKMZKBLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-10-2-3-11(7-14)6-13(10)19(16,17)15-8-12-4-5-18-9-12/h2-3,6,12,15H,4-5,7-9,14H2,1H3.
What are the key properties of 5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide?
5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 300.45 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-N-(thiolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106089158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).