5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide

C11H15N3O3S2 — CID 106031731

IUPAC5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2nccs2)c(C)o1
InChIInChI=1S/C11H15N3O3S2/c1-3-12-7-9-6-10(8(2)17-9)19(15,16)14-11-13-4-5-18-11/h4-6,12H,3,7H2,1-2H3,(H,13,14)
InChIKeyDAVJSHRGSIQLFS-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.95
Rot. Bonds6

About 5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide

5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide (PubChem CID 106031731) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
PubChem CID106031731
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC Name5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2nccs2)c(C)o1
InChIInChI=1S/C11H15N3O3S2/c1-3-12-7-9-6-10(8(2)17-9)19(15,16)14-11-13-4-5-18-11/h4-6,12H,3,7H2,1-2H3,(H,13,14)
InChIKeyDAVJSHRGSIQLFS-UHFFFAOYSA-N
XLogP1.95
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylaminomethyl)-N-(1,3-thiazol-2-yl)furan-2-sulfonamide
CID 106031932
4-(ethylaminomethyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106031890
5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide
CID 106065482
5-(ethylaminomethyl)-2-methyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide
CID 106088026
2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106031935
2-(ethylaminomethyl)-4-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106031666
5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059106
2,5-dimethyl-4-(1,3-thiazol-2-ylsulfamoyl)furan-3-carboxylic acid
CID 43319867
2-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 106031780
2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031681
5-ethyl-2-fluoro-4-(2-methylpropyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 123341644
2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide
CID 106070165

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide (CID 106031731) is 5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide is CCNCc1cc(S(=O)(=O)Nc2nccs2)c(C)o1.
What is the InChIKey of 5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide?
The InChIKey is DAVJSHRGSIQLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S2/c1-3-12-7-9-6-10(8(2)17-9)19(15,16)14-11-13-4-5-18-11/h4-6,12H,3,7H2,1-2H3,(H,13,14).
What are the key properties of 5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide?
5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide has a molecular weight of 301.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2-methyl-N-(1,3-thiazol-2-yl)furan-3-sulfonamide is sourced from PubChem (CID 106031731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).