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

C11H15N3O2S3 — CID 106019045

IUPAC2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCCc1nc(NS(=O)(=O)c2ccsc2CN)sc1C
InChIInChI=1S/C11H15N3O2S3/c1-3-8-7(2)18-11(13-8)14-19(15,16)10-4-5-17-9(10)6-12/h4-5H,3,6,12H2,1-2H3,(H,13,14)
InChIKeyCEKNEQSAJINOMG-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.33
Rot. Bonds5

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

2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (PubChem CID 106019045) has the molecular formula C11H15N3O2S3 and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
PubChem CID106019045
Molecular FormulaC11H15N3O2S3
Molecular Weight317.46 g/mol
Exact Mass317.03
IUPAC Name2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
SMILESCCc1nc(NS(=O)(=O)c2ccsc2CN)sc1C
InChIInChI=1S/C11H15N3O2S3/c1-3-8-7(2)18-11(13-8)14-19(15,16)10-4-5-17-9(10)6-12/h4-5H,3,6,12H2,1-2H3,(H,13,14)
InChIKeyCEKNEQSAJINOMG-UHFFFAOYSA-N
XLogP2.33
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 61477600
5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106019046
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide
CID 61472090
2-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)thiophene-3-sulfonamide
CID 106082978
3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106019052
5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61471894
5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide
CID 61472007
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
2-amino-5-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 106491632
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 61477638

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide (CID 106019045) is 2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is CCc1nc(NS(=O)(=O)c2ccsc2CN)sc1C.
What is the InChIKey of 2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
The InChIKey is CEKNEQSAJINOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S3/c1-3-8-7(2)18-11(13-8)14-19(15,16)10-4-5-17-9(10)6-12/h4-5H,3,6,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide?
2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106019045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).