5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide

C12H17N3O2S2 — CID 55735458

IUPAC5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)Cn2cccn2)s1
InChIInChI=1S/C12H17N3O2S2/c1-10(9-15-7-3-6-13-15)8-14-19(16,17)12-5-4-11(2)18-12/h3-7,10,14H,8-9H2,1-2H3
InChIKeyNEHGMYUEUWFZMM-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.87
Rot. Bonds6

About 5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide

5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide (PubChem CID 55735458) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
PubChem CID55735458
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)Cn2cccn2)s1
InChIInChI=1S/C12H17N3O2S2/c1-10(9-15-7-3-6-13-15)8-14-19(16,17)12-5-4-11(2)18-12/h3-7,10,14H,8-9H2,1-2H3
InChIKeyNEHGMYUEUWFZMM-UHFFFAOYSA-N
XLogP1.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 60539912
N-(2-aminopropyl)-5-methylthiophene-2-sulfonamide
CID 63732116
5-methyl-N-(2-phenylpropyl)thiophene-2-sulfonamide
CID 47109865
5-methyl-N-[2-(methylamino)propyl]thiophene-2-sulfonamide
CID 120825500
4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 55735040
N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide
CID 63733262
1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide
CID 86870409
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
4-fluoro-3-methoxy-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]benzenesulfonamide
CID 99830947
4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 55735011
4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 55735133
N-[(2R)-2-aminopentyl]-5-methylthiophene-2-sulfonamide
CID 97238648

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide (CID 55735458) is 5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC(C)Cn2cccn2)s1.
What is the InChIKey of 5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide?
The InChIKey is NEHGMYUEUWFZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-10(9-15-7-3-6-13-15)8-14-19(16,17)12-5-4-11(2)18-12/h3-7,10,14H,8-9H2,1-2H3.
What are the key properties of 5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide?
5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 55735458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).