methyl 4-(butan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate

C10H16N2O4S — CID 45106493

IUPACmethyl 4-(butan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate
SMILESCCC(C)NS(=O)(=O)c1c[nH]c(C(=O)OC)c1
InChIInChI=1S/C10H16N2O4S/c1-4-7(2)12-17(14,15)8-5-9(11-6-8)10(13)16-3/h5-7,11-12H,4H2,1-3H3
InChIKeyZSKIHIOIZSUUGO-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.88
Rot. Bonds5

About methyl 4-(butan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate

methyl 4-(butan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate (PubChem CID 45106493) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is methyl 4-(butan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(butan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate
PubChem CID45106493
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Namemethyl 4-(butan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate
SMILESCCC(C)NS(=O)(=O)c1c[nH]c(C(=O)OC)c1
InChIInChI=1S/C10H16N2O4S/c1-4-7(2)12-17(14,15)8-5-9(11-6-8)10(13)16-3/h5-7,11-12H,4H2,1-3H3
InChIKeyZSKIHIOIZSUUGO-UHFFFAOYSA-N
XLogP0.88
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(butan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-(butan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate (CID 45106493) is methyl 4-(butan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(butan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(butan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate is CCC(C)NS(=O)(=O)c1c[nH]c(C(=O)OC)c1.
What is the InChIKey of methyl 4-(butan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate?
The InChIKey is ZSKIHIOIZSUUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-4-7(2)12-17(14,15)8-5-9(11-6-8)10(13)16-3/h5-7,11-12H,4H2,1-3H3.
What are the key properties of methyl 4-(butan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate?
methyl 4-(butan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate has a molecular weight of 260.31 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(butan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 45106493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).