methyl 5-(1-aminohexan-2-ylsulfamoyl)-4-methoxythiophene-2-carboxylate

C13H22N2O5S2 — CID 119993207

IUPACmethyl 5-(1-aminohexan-2-ylsulfamoyl)-4-methoxythiophene-2-carboxylate
SMILESCCCCC(CN)NS(=O)(=O)c1sc(C(=O)OC)cc1OC
InChIInChI=1S/C13H22N2O5S2/c1-4-5-6-9(8-14)15-22(17,18)13-10(19-2)7-11(21-13)12(16)20-3/h7,9,15H,4-6,8,14H2,1-3H3
InChIKeyUGMMKWDLUOHIPX-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.34
Rot. Bonds9

About methyl 5-(1-aminohexan-2-ylsulfamoyl)-4-methoxythiophene-2-carboxylate

methyl 5-(1-aminohexan-2-ylsulfamoyl)-4-methoxythiophene-2-carboxylate (PubChem CID 119993207) has the molecular formula C13H22N2O5S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is methyl 5-(1-aminohexan-2-ylsulfamoyl)-4-methoxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-aminohexan-2-ylsulfamoyl)-4-methoxythiophene-2-carboxylate
PubChem CID119993207
Molecular FormulaC13H22N2O5S2
Molecular Weight350.46 g/mol
Exact Mass350.10
IUPAC Namemethyl 5-(1-aminohexan-2-ylsulfamoyl)-4-methoxythiophene-2-carboxylate
SMILESCCCCC(CN)NS(=O)(=O)c1sc(C(=O)OC)cc1OC
InChIInChI=1S/C13H22N2O5S2/c1-4-5-6-9(8-14)15-22(17,18)13-10(19-2)7-11(21-13)12(16)20-3/h7,9,15H,4-6,8,14H2,1-3H3
InChIKeyUGMMKWDLUOHIPX-UHFFFAOYSA-N
XLogP1.34
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-aminohexan-2-ylsulfamoyl)-4-methoxythiophene-2-carboxylate?
The IUPAC name of methyl 5-(1-aminohexan-2-ylsulfamoyl)-4-methoxythiophene-2-carboxylate (CID 119993207) is methyl 5-(1-aminohexan-2-ylsulfamoyl)-4-methoxythiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(1-aminohexan-2-ylsulfamoyl)-4-methoxythiophene-2-carboxylate?
The canonical SMILES for methyl 5-(1-aminohexan-2-ylsulfamoyl)-4-methoxythiophene-2-carboxylate is CCCCC(CN)NS(=O)(=O)c1sc(C(=O)OC)cc1OC.
What is the InChIKey of methyl 5-(1-aminohexan-2-ylsulfamoyl)-4-methoxythiophene-2-carboxylate?
The InChIKey is UGMMKWDLUOHIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S2/c1-4-5-6-9(8-14)15-22(17,18)13-10(19-2)7-11(21-13)12(16)20-3/h7,9,15H,4-6,8,14H2,1-3H3.
What are the key properties of methyl 5-(1-aminohexan-2-ylsulfamoyl)-4-methoxythiophene-2-carboxylate?
methyl 5-(1-aminohexan-2-ylsulfamoyl)-4-methoxythiophene-2-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-aminohexan-2-ylsulfamoyl)-4-methoxythiophene-2-carboxylate is sourced from PubChem (CID 119993207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).