5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide

C13H13N3O2S3 — CID 107806361

IUPAC5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)Nc2ccc3ncsc3c2)s1
InChIInChI=1S/C13H13N3O2S3/c14-6-5-10-2-4-13(20-10)21(17,18)16-9-1-3-11-12(7-9)19-8-15-11/h1-4,7-8,16H,5-6,14H2
InChIKeyQUUOMKXRICDAHK-UHFFFAOYSA-N
MW339.47 g/mol
LogP2.66
Rot. Bonds5

About 5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide

5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide (PubChem CID 107806361) has the molecular formula C13H13N3O2S3 and a molecular weight of 339.47 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide
PubChem CID107806361
Molecular FormulaC13H13N3O2S3
Molecular Weight339.47 g/mol
Exact Mass339.02
IUPAC Name5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)Nc2ccc3ncsc3c2)s1
InChIInChI=1S/C13H13N3O2S3/c14-6-5-10-2-4-13(20-10)21(17,18)16-9-1-3-11-12(7-9)19-8-15-11/h1-4,7-8,16H,5-6,14H2
InChIKeyQUUOMKXRICDAHK-UHFFFAOYSA-N
XLogP2.66
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43520881
5-(2-aminoethyl)-N-(3-bromo-4-fluorophenyl)thiophene-2-sulfonamide
CID 104779852
5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide
CID 43520810
5-(2-aminoethyl)-N-phenylthiophene-2-sulfonamide
CID 43520785
N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide
CID 59823085
5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 79049510
1-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)pyrazole-4-sulfonamide
CID 106089376
5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide
CID 43520942
6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide
CID 107801222
5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
CID 43543966
5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 79729691
5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 107601110

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide (CID 107806361) is 5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide is NCCc1ccc(S(=O)(=O)Nc2ccc3ncsc3c2)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide?
The InChIKey is QUUOMKXRICDAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S3/c14-6-5-10-2-4-13(20-10)21(17,18)16-9-1-3-11-12(7-9)19-8-15-11/h1-4,7-8,16H,5-6,14H2.
What are the key properties of 5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide has a molecular weight of 339.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 107806361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).