2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide

C13H20N4O2S2 — CID 106085775

IUPAC2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NCCc1ccnn1C
InChIInChI=1S/C13H20N4O2S2/c1-3-14-10-12-13(6-9-20-12)21(18,19)16-8-5-11-4-7-15-17(11)2/h4,6-7,9,14,16H,3,5,8,10H2,1-2H3
InChIKeyBCIUNRVFUPIJPS-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.11
Rot. Bonds8

About 2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide

2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106085775) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106085775
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC Name2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)NCCc1ccnn1C
InChIInChI=1S/C13H20N4O2S2/c1-3-14-10-12-13(6-9-20-12)21(18,19)16-8-5-11-4-7-15-17(11)2/h4,6-7,9,14,16H,3,5,8,10H2,1-2H3
InChIKeyBCIUNRVFUPIJPS-UHFFFAOYSA-N
XLogP1.11
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylaminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106066571
N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]thiophen-3-yl]acetamide
CID 103005135
2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 103011096
2,5-dibromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693968
N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693966
5-(ethylaminomethyl)-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106065084
5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 103004774
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 103004685
2-(ethylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide
CID 106064642
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide
CID 106085796
N-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106076401
2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 103008087

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide (CID 106085775) is 2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide is CCNCc1sccc1S(=O)(=O)NCCc1ccnn1C.
What is the InChIKey of 2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is BCIUNRVFUPIJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-3-14-10-12-13(6-9-20-12)21(18,19)16-8-5-11-4-7-15-17(11)2/h4,6-7,9,14,16H,3,5,8,10H2,1-2H3.
What are the key properties of 2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide?
2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106085775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).