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

C11H15N3O2S3 — CID 61477600

IUPAC5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCCc1nc(NS(=O)(=O)c2ccc(CN)s2)sc1C
InChIInChI=1S/C11H15N3O2S3/c1-3-9-7(2)17-11(13-9)14-19(15,16)10-5-4-8(6-12)18-10/h4-5H,3,6,12H2,1-2H3,(H,13,14)
InChIKeyZHMGDNVYIVORJW-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.33
Rot. Bonds5

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

5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 61477600) has the molecular formula C11H15N3O2S3 and a molecular weight of 317.46 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
PubChem CID61477600
Molecular FormulaC11H15N3O2S3
Molecular Weight317.46 g/mol
Exact Mass317.03
IUPAC Name5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCCc1nc(NS(=O)(=O)c2ccc(CN)s2)sc1C
InChIInChI=1S/C11H15N3O2S3/c1-3-9-7(2)17-11(13-9)14-19(15,16)10-5-4-8(6-12)18-10/h4-5H,3,6,12H2,1-2H3,(H,13,14)
InChIKeyZHMGDNVYIVORJW-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

2-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106019045
5-(aminomethyl)-2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106019046
3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106019052
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide
CID 61472090
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 61477562
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 61068278
5-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 60785281
5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61471894
5-(aminomethyl)-1-ethyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 106019026
5-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzenesulfonamide
CID 61472007
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106054807
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 61477638

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (CID 61477600) is 5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is CCc1nc(NS(=O)(=O)c2ccc(CN)s2)sc1C.
What is the InChIKey of 5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is ZHMGDNVYIVORJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S3/c1-3-9-7(2)17-11(13-9)14-19(15,16)10-5-4-8(6-12)18-10/h4-5H,3,6,12H2,1-2H3,(H,13,14).
What are the key properties of 5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-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 5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 61477600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).