4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide

C11H16N4O2S2 — CID 106015963

IUPAC4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H16N4O2S2/c1-8-7-18-10(6-12-2)11(8)19(16,17)15-5-9-3-13-14-4-9/h3-4,7,12,15H,5-6H2,1-2H3,(H,13,14)
InChIKeyGAGSLDFUUYCLKS-UHFFFAOYSA-N
MW300.41 g/mol
LogP0.98
Rot. Bonds6

About 4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide

4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide (PubChem CID 106015963) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide
PubChem CID106015963
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H16N4O2S2/c1-8-7-18-10(6-12-2)11(8)19(16,17)15-5-9-3-13-14-4-9/h3-4,7,12,15H,5-6H2,1-2H3,(H,13,14)
InChIKeyGAGSLDFUUYCLKS-UHFFFAOYSA-N
XLogP0.98
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102752695
2-amino-3,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 103171290
3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 54897462
N-[(3-bromophenyl)methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106018690
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679
4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106016006
4-methyl-2-(methylaminomethyl)-N-[(3-methyl-2-pyridinyl)methyl]thiophene-3-sulfonamide
CID 106065592
2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016129
N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094597
N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 22929644
4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 102754672
4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106049854

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide (CID 106015963) is 4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide is CNCc1scc(C)c1S(=O)(=O)NCc1cn[nH]c1.
What is the InChIKey of 4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is GAGSLDFUUYCLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-8-7-18-10(6-12-2)11(8)19(16,17)15-5-9-3-13-14-4-9/h3-4,7,12,15H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide?
4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106015963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).