3-amino-1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide

C12H18N4O2S2 — CID 61474909

IUPAC3-amino-1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)Cc2ccsc2)c(N)n1
InChIInChI=1S/C12H18N4O2S2/c1-3-16-7-11(12(13)14-16)20(17,18)15-9(2)6-10-4-5-19-8-10/h4-5,7-9,15H,3,6H2,1-2H3,(H2,13,14)
InChIKeySYNUMRJWAVUGPI-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.46
Rot. Bonds6

About 3-amino-1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide

3-amino-1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide (PubChem CID 61474909) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide
PubChem CID61474909
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name3-amino-1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)Cc2ccsc2)c(N)n1
InChIInChI=1S/C12H18N4O2S2/c1-3-16-7-11(12(13)14-16)20(17,18)15-9(2)6-10-4-5-19-8-10/h4-5,7-9,15H,3,6H2,1-2H3,(H2,13,14)
InChIKeySYNUMRJWAVUGPI-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 61474831
5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 54954014
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 61474983
2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 106053233
2-fluoro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 47358916
2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 62152021
3-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-sulfonamide
CID 103305478
6-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide
CID 64602655
3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 61240299
3-amino-1-ethyl-N-(1-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
CID 113494400
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide
CID 60808316

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide (CID 61474909) is 3-amino-1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC(C)Cc2ccsc2)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide?
The InChIKey is SYNUMRJWAVUGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-3-16-7-11(12(13)14-16)20(17,18)15-9(2)6-10-4-5-19-8-10/h4-5,7-9,15H,3,6H2,1-2H3,(H2,13,14).
What are the key properties of 3-amino-1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 61474909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).