methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate

C10H11N3O4S2 — CID 43624372

IUPACmethyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C10H11N3O4S2/c1-13-6-7(5-11-13)19(15,16)12-8-3-4-18-9(8)10(14)17-2/h3-6,12H,1-2H3
InChIKeySROWKZHKCCUYFG-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.07
Rot. Bonds4

About methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate

methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate (PubChem CID 43624372) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate
PubChem CID43624372
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC Namemethyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C10H11N3O4S2/c1-13-6-7(5-11-13)19(15,16)12-8-3-4-18-9(8)10(14)17-2/h3-6,12H,1-2H3
InChIKeySROWKZHKCCUYFG-UHFFFAOYSA-N
XLogP1.07
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate (CID 43624372) is methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate?
The InChIKey is SROWKZHKCCUYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c1-13-6-7(5-11-13)19(15,16)12-8-3-4-18-9(8)10(14)17-2/h3-6,12H,1-2H3.
What are the key properties of methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate?
methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 43624372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).