3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide

C11H16N4O2S2 — CID 106070171

IUPAC3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide
SMILESCCNCc1n[nH]c(C)c1S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C11H16N4O2S2/c1-3-12-6-10-11(8(2)13-14-10)19(16,17)15-9-4-5-18-7-9/h4-5,7,12,15H,3,6H2,1-2H3,(H,13,14)
InChIKeyJTOVFRDMMZYCOH-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.69
Rot. Bonds6

About 3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide

3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide (PubChem CID 106070171) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide
PubChem CID106070171
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide
SMILESCCNCc1n[nH]c(C)c1S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C11H16N4O2S2/c1-3-12-6-10-11(8(2)13-14-10)19(16,17)15-9-4-5-18-7-9/h4-5,7,12,15H,3,6H2,1-2H3,(H,13,14)
InChIKeyJTOVFRDMMZYCOH-UHFFFAOYSA-N
XLogP1.69
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide
CID 106069892
5-methyl-4-(methylaminomethyl)-N-thiophen-3-yl-1H-pyrazole-3-sulfonamide
CID 106069925
3-(ethylaminomethyl)-5-methyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106031016
5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide
CID 106069990
N-(cyclopentylmethyl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106027270
3-(ethylaminomethyl)-5-methyl-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 106079848
3-(ethylaminomethyl)-5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106013540
3-(ethylaminomethyl)-5-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1H-pyrazole-4-sulfonamide
CID 106064926
5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
CID 106088574
3-(ethylaminomethyl)-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 106093623
N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28785562
5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide
CID 106032980

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide (CID 106070171) is 3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide is CCNCc1n[nH]c(C)c1S(=O)(=O)Nc1ccsc1.
What is the InChIKey of 3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide?
The InChIKey is JTOVFRDMMZYCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-3-12-6-10-11(8(2)13-14-10)19(16,17)15-9-4-5-18-7-9/h4-5,7,12,15H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide?
3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-5-methyl-N-thiophen-3-yl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106070171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).