5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide

C11H16N4O2S2 — CID 43543966

IUPAC5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(CCN)s2)cn1
InChIInChI=1S/C11H16N4O2S2/c1-2-15-8-9(7-13-15)14-19(16,17)11-4-3-10(18-11)5-6-12/h3-4,7-8,14H,2,5-6,12H2,1H3
InChIKeyTXCMCXBQRHYOPY-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.27
Rot. Bonds6

About 5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide

5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide (PubChem CID 43543966) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
PubChem CID43543966
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(CCN)s2)cn1
InChIInChI=1S/C11H16N4O2S2/c1-2-15-8-9(7-13-15)14-19(16,17)11-4-3-10(18-11)5-6-12/h3-4,7-8,14H,2,5-6,12H2,1H3
InChIKeyTXCMCXBQRHYOPY-UHFFFAOYSA-N
XLogP1.27
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-[(5-ethylthiophen-2-yl)sulfonylamino]pyrazol-1-yl]acetate
CID 61061458
5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide
CID 43520810
5-(2-aminoethyl)-N-phenylthiophene-2-sulfonamide
CID 43520785
5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43520881
5-(2-aminoethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide
CID 107463808
N-(1-ethylpyrazol-4-yl)-4-hydrazinylbenzenesulfonamide
CID 43543964
5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 79049510
5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide
CID 43520882
5-chloro-N-(1-ethylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 39836974
5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide
CID 107806361
3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 63287880
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-ethylpyrazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide (CID 43543966) is 5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide is CCn1cc(NS(=O)(=O)c2ccc(CCN)s2)cn1.
What is the InChIKey of 5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is TXCMCXBQRHYOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-2-15-8-9(7-13-15)14-19(16,17)11-4-3-10(18-11)5-6-12/h3-4,7-8,14H,2,5-6,12H2,1H3.
What are the key properties of 5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 1.27, 6 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-ethylpyrazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 43543966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).