N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide

C12H18N4O2S2 — CID 106090340

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1csc(CNC)c1
InChIInChI=1S/C12H18N4O2S2/c1-4-11-12(7-16(3)14-11)15-20(17,18)10-5-9(6-13-2)19-8-10/h5,7-8,13,15H,4,6H2,1-3H3
InChIKeyYZTWMDCDGFDSFS-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.56
Rot. Bonds6

About N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide

N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106090340) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106090340
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1csc(CNC)c1
InChIInChI=1S/C12H18N4O2S2/c1-4-11-12(7-16(3)14-11)15-20(17,18)10-5-9(6-13-2)19-8-10/h5,7-8,13,15H,4,6H2,1-3H3
InChIKeyYZTWMDCDGFDSFS-UHFFFAOYSA-N
XLogP1.56
TPSA76.02 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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107531552
5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106018213
N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106090329
N-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 106000617
5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056250
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide
CID 107462605
N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 107464429
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide
CID 107464615
4-amino-3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107463815
N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106075947
3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462568
N-(4-bromo-2-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106030519

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106090340) is N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide is CCc1nn(C)cc1NS(=O)(=O)c1csc(CNC)c1.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is YZTWMDCDGFDSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-4-11-12(7-16(3)14-11)15-20(17,18)10-5-9(6-13-2)19-8-10/h5,7-8,13,15H,4,6H2,1-3H3.
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106090340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).