5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide

C11H16N4O2S2 — CID 43520882

IUPAC5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(CCN)s2)n(C)n1
InChIInChI=1S/C11H16N4O2S2/c1-8-7-10(15(2)13-8)14-19(16,17)11-4-3-9(18-11)5-6-12/h3-4,7,14H,5-6,12H2,1-2H3
InChIKeyDXPTXJDTUXYSGG-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.09
Rot. Bonds5

About 5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide

5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 43520882) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID43520882
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(CCN)s2)n(C)n1
InChIInChI=1S/C11H16N4O2S2/c1-8-7-10(15(2)13-8)14-19(16,17)11-4-3-9(18-11)5-6-12/h3-4,7,14H,5-6,12H2,1-2H3
InChIKeyDXPTXJDTUXYSGG-UHFFFAOYSA-N
XLogP1.09
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-aminoethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide
CID 107463808
5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43520881
5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 79729691
5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 79049510
5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide
CID 43520810
5-(2-aminoethyl)-N-phenylthiophene-2-sulfonamide
CID 43520785
5-(2-aminoethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106049150
5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 107601110
5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
CID 43543966
5-amino-2-bromo-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 65202375
3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide
CID 107343064
2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 54888795

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide (CID 43520882) is 5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc(CCN)s2)n(C)n1.
What is the InChIKey of 5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is DXPTXJDTUXYSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-8-7-10(15(2)13-8)14-19(16,17)11-4-3-9(18-11)5-6-12/h3-4,7,14H,5-6,12H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 1.09, 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-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 43520882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).