ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate

C15H24N2O4S — CID 22515783

IUPACethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NC2CCC(C)CC2)cn1C
InChIInChI=1S/C15H24N2O4S/c1-4-21-15(18)14-9-13(10-17(14)3)22(19,20)16-12-7-5-11(2)6-8-12/h9-12,16H,4-8H2,1-3H3
InChIKeyYZVSDIURAVSKFE-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.06
Rot. Bonds5

About ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate

ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate (PubChem CID 22515783) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate
PubChem CID22515783
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Nameethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NC2CCC(C)CC2)cn1C
InChIInChI=1S/C15H24N2O4S/c1-4-21-15(18)14-9-13(10-17(14)3)22(19,20)16-12-7-5-11(2)6-8-12/h9-12,16H,4-8H2,1-3H3
InChIKeyYZVSDIURAVSKFE-UHFFFAOYSA-N
XLogP2.06
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate (CID 22515783) is ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate is CCOC(=O)c1cc(S(=O)(=O)NC2CCC(C)CC2)cn1C.
What is the InChIKey of ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate?
The InChIKey is YZVSDIURAVSKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-4-21-15(18)14-9-13(10-17(14)3)22(19,20)16-12-7-5-11(2)6-8-12/h9-12,16H,4-8H2,1-3H3.
What are the key properties of ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate?
ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate has a molecular weight of 328.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylate is sourced from PubChem (CID 22515783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).