4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide

C13H20N4O2S2 — CID 106004408

IUPAC4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NC(C)Cc1cccs1
InChIInChI=1S/C13H20N4O2S2/c1-3-14-8-11-9-15-16-13(11)21(18,19)17-10(2)7-12-5-4-6-20-12/h4-6,9-10,14,17H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyZAMNSDMKVDTVBA-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.49
Rot. Bonds8

About 4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide

4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 106004408) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide
PubChem CID106004408
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC Name4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NC(C)Cc1cccs1
InChIInChI=1S/C13H20N4O2S2/c1-3-14-8-11-9-15-16-13(11)21(18,19)17-10(2)7-12-5-4-6-20-12/h4-6,9-10,14,17H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyZAMNSDMKVDTVBA-UHFFFAOYSA-N
XLogP1.49
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106080343
4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide
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N-(4-methylpentan-2-yl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106028644
4-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106085113
2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 55173103
4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106031009
4-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-sulfonamide
CID 106077632
2-hydrazinyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 63292014
N-(3,5-dichlorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058989
2-hydrazinyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63291970
2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide
CID 79578342
2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63295984

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide (CID 106004408) is 4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide is CCNCc1cn[nH]c1S(=O)(=O)NC(C)Cc1cccs1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is ZAMNSDMKVDTVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-3-14-8-11-9-15-16-13(11)21(18,19)17-10(2)7-12-5-4-6-20-12/h4-6,9-10,14,17H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of 4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide?
4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106004408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).