4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide

C12H18N4O2S2 — CID 106053436

IUPAC4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1[nH]ncc1CNC)c1cccs1
InChIInChI=1S/C12H18N4O2S2/c1-3-10(11-5-4-6-19-11)16-20(17,18)12-9(7-13-2)8-14-15-12/h4-6,8,10,13,16H,3,7H2,1-2H3,(H,14,15)
InChIKeyMYWKGHKWMVUBPH-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.62
Rot. Bonds7

About 4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide

4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106053436) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide
PubChem CID106053436
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1[nH]ncc1CNC)c1cccs1
InChIInChI=1S/C12H18N4O2S2/c1-3-10(11-5-4-6-19-11)16-20(17,18)12-9(7-13-2)8-14-15-12/h4-6,8,10,13,16H,3,7H2,1-2H3,(H,14,15)
InChIKeyMYWKGHKWMVUBPH-UHFFFAOYSA-N
XLogP1.62
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 106055074
4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106018839
5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 106053416
4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106004408
4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide
CID 106022701
N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
4-(methylaminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106003395
2-[1-(sulfamoylamino)propyl]thiophene
CID 112686147
N-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106068722
3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
CID 106053446
3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 61068284
4-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrazole-5-sulfonamide
CID 102915821

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide (CID 106053436) is 4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide is CCC(NS(=O)(=O)c1[nH]ncc1CNC)c1cccs1.
What is the InChIKey of 4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is MYWKGHKWMVUBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-3-10(11-5-4-6-19-11)16-20(17,18)12-9(7-13-2)8-14-15-12/h4-6,8,10,13,16H,3,7H2,1-2H3,(H,14,15).
What are the key properties of 4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide?
4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106053436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).