4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide

C13H20N4O2S2 — CID 106056783

IUPAC4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)Nc2cnn(C(C)C)c2)c1
InChIInChI=1S/C13H20N4O2S2/c1-4-14-6-11-5-13(20-9-11)21(18,19)16-12-7-15-17(8-12)10(2)3/h5,7-10,14,16H,4,6H2,1-3H3
InChIKeyLOQGIYFDLNRASZ-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.44
Rot. Bonds7

About 4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide

4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide (PubChem CID 106056783) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide
PubChem CID106056783
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC Name4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)Nc2cnn(C(C)C)c2)c1
InChIInChI=1S/C13H20N4O2S2/c1-4-14-6-11-5-13(20-9-11)21(18,19)16-12-7-15-17(8-12)10(2)3/h5,7-10,14,16H,4,6H2,1-3H3
InChIKeyLOQGIYFDLNRASZ-UHFFFAOYSA-N
XLogP2.44
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide
CID 62902817
4-(ethylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106051103
4-(ethylaminomethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 106070490
4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074851
N-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106067102
4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide
CID 114134463
N-(1-cyclopentylethyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106066079
N-(3-bromo-4-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106076005
N-(3-bromo-2-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106062188
N-(1-cyclohexylethyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106056863
5-amino-N-(1-propan-2-ylpyrazol-4-yl)-1,3,4-thiadiazole-2-sulfonamide
CID 113383213
N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106060359

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide (CID 106056783) is 4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide is CCNCc1csc(S(=O)(=O)Nc2cnn(C(C)C)c2)c1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is LOQGIYFDLNRASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-4-14-6-11-5-13(20-9-11)21(18,19)16-12-7-15-17(8-12)10(2)3/h5,7-10,14,16H,4,6H2,1-3H3.
What are the key properties of 4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide?
4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(1-propan-2-ylpyrazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106056783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).