3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

C13H17N3O2S2 — CID 106019052

IUPAC3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cccc(CN)c2)sc1C
InChIInChI=1S/C13H17N3O2S2/c1-3-12-9(2)19-13(15-12)16-20(17,18)11-6-4-5-10(7-11)8-14/h4-7H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyAJCRWIMCMFKKDF-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.27
Rot. Bonds5

About 3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 106019052) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID106019052
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cccc(CN)c2)sc1C
InChIInChI=1S/C13H17N3O2S2/c1-3-12-9(2)19-13(15-12)16-20(17,18)11-6-4-5-10(7-11)8-14/h4-7H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyAJCRWIMCMFKKDF-UHFFFAOYSA-N
XLogP2.27
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 61471934
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 61068278
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 61477562
5-(aminomethyl)-1-ethyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 106019026
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 61477638
5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 61477600
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide
CID 61472090
2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106019045
4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 79185569
5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106019046
3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462568
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
CID 61356371

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 106019052) is 3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is CCc1nc(NS(=O)(=O)c2cccc(CN)c2)sc1C.
What is the InChIKey of 3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is AJCRWIMCMFKKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-3-12-9(2)19-13(15-12)16-20(17,18)11-6-4-5-10(7-11)8-14/h4-7H,3,8,14H2,1-2H3,(H,15,16).
What are the key properties of 3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106019052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).