methyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate

C14H22N2O4S — CID 6623771

IUPACmethyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N(C)C2CCCCC2)cn1C
InChIInChI=1S/C14H22N2O4S/c1-15-10-12(9-13(15)14(17)20-3)21(18,19)16(2)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyCYLYILXRSACIEK-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.76
Rot. Bonds4

About methyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate

methyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 6623771) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is methyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID6623771
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Namemethyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N(C)C2CCCCC2)cn1C
InChIInChI=1S/C14H22N2O4S/c1-15-10-12(9-13(15)14(17)20-3)21(18,19)16(2)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyCYLYILXRSACIEK-UHFFFAOYSA-N
XLogP1.76
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate (CID 6623771) is methyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)N(C)C2CCCCC2)cn1C.
What is the InChIKey of methyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is CYLYILXRSACIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-15-10-12(9-13(15)14(17)20-3)21(18,19)16(2)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3.
What are the key properties of methyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate?
methyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 314.41 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclohexyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 6623771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).