methyl 5-[(1-cyanocyclobutyl)-cyclopropylsulfamoyl]thiophene-2-carboxylate

C14H16N2O4S2 — CID 99793687

IUPACmethyl 5-[(1-cyanocyclobutyl)-cyclopropylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C2CC2)C2(C#N)CCC2)s1
InChIInChI=1S/C14H16N2O4S2/c1-20-13(17)11-5-6-12(21-11)22(18,19)16(10-3-4-10)14(9-15)7-2-8-14/h5-6,10H,2-4,7-8H2,1H3
InChIKeyZQOSJCNDJIUDOS-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.13
Rot. Bonds5

About methyl 5-[(1-cyanocyclobutyl)-cyclopropylsulfamoyl]thiophene-2-carboxylate

methyl 5-[(1-cyanocyclobutyl)-cyclopropylsulfamoyl]thiophene-2-carboxylate (PubChem CID 99793687) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is methyl 5-[(1-cyanocyclobutyl)-cyclopropylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1-cyanocyclobutyl)-cyclopropylsulfamoyl]thiophene-2-carboxylate
PubChem CID99793687
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Namemethyl 5-[(1-cyanocyclobutyl)-cyclopropylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C2CC2)C2(C#N)CCC2)s1
InChIInChI=1S/C14H16N2O4S2/c1-20-13(17)11-5-6-12(21-11)22(18,19)16(10-3-4-10)14(9-15)7-2-8-14/h5-6,10H,2-4,7-8H2,1H3
InChIKeyZQOSJCNDJIUDOS-UHFFFAOYSA-N
XLogP2.13
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1-cyanocyclobutyl)-cyclopropylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[(1-cyanocyclobutyl)-cyclopropylsulfamoyl]thiophene-2-carboxylate (CID 99793687) is methyl 5-[(1-cyanocyclobutyl)-cyclopropylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[(1-cyanocyclobutyl)-cyclopropylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[(1-cyanocyclobutyl)-cyclopropylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)N(C2CC2)C2(C#N)CCC2)s1.
What is the InChIKey of methyl 5-[(1-cyanocyclobutyl)-cyclopropylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is ZQOSJCNDJIUDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-20-13(17)11-5-6-12(21-11)22(18,19)16(10-3-4-10)14(9-15)7-2-8-14/h5-6,10H,2-4,7-8H2,1H3.
What are the key properties of methyl 5-[(1-cyanocyclobutyl)-cyclopropylsulfamoyl]thiophene-2-carboxylate?
methyl 5-[(1-cyanocyclobutyl)-cyclopropylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 340.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1-cyanocyclobutyl)-cyclopropylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 99793687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).