5-(2-aminoethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide

C12H18N4O2S2 — CID 107463808

IUPAC5-(2-aminoethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C12H18N4O2S2/c1-3-10-11(8-16(2)14-10)15-20(17,18)12-5-4-9(19-12)6-7-13/h4-5,8,15H,3,6-7,13H2,1-2H3
InChIKeyFCJXASVBGSRSRH-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.35
Rot. Bonds6

About 5-(2-aminoethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide

5-(2-aminoethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide (PubChem CID 107463808) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide
PubChem CID107463808
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name5-(2-aminoethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C12H18N4O2S2/c1-3-10-11(8-16(2)14-10)15-20(17,18)12-5-4-9(19-12)6-7-13/h4-5,8,15H,3,6-7,13H2,1-2H3
InChIKeyFCJXASVBGSRSRH-UHFFFAOYSA-N
XLogP1.35
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide
CID 43520882
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 107461994
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)ethanesulfonamide
CID 107462576
5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 107462000
5-(2-aminoethyl)-N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
CID 43543966
4-amino-2-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462077
3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 107462572
3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462568
5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide
CID 43520810
N-(3-ethyl-1-methylpyrazol-4-yl)-4-(2-hydroxyethyl)benzenesulfonamide
CID 106000585
5-(2-aminoethyl)-N-phenylthiophene-2-sulfonamide
CID 43520785
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-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide (CID 107463808) is 5-(2-aminoethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide is CCc1nn(C)cc1NS(=O)(=O)c1ccc(CCN)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is FCJXASVBGSRSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-3-10-11(8-16(2)14-10)15-20(17,18)12-5-4-9(19-12)6-7-13/h4-5,8,15H,3,6-7,13H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.35, 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-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 107463808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).