ethyl 3,5-dimethyl-4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate

C14H22N2O5S — CID 53005271

IUPACethyl 3,5-dimethyl-4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(S(=O)(=O)NCC2CCCO2)c1C
InChIInChI=1S/C14H22N2O5S/c1-4-20-14(17)12-9(2)13(10(3)16-12)22(18,19)15-8-11-6-5-7-21-11/h11,15-16H,4-8H2,1-3H3
InChIKeySBIZHQVCRKYVNT-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.27
Rot. Bonds6

About ethyl 3,5-dimethyl-4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate

ethyl 3,5-dimethyl-4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate (PubChem CID 53005271) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is ethyl 3,5-dimethyl-4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dimethyl-4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate
PubChem CID53005271
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Nameethyl 3,5-dimethyl-4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(S(=O)(=O)NCC2CCCO2)c1C
InChIInChI=1S/C14H22N2O5S/c1-4-20-14(17)12-9(2)13(10(3)16-12)22(18,19)15-8-11-6-5-7-21-11/h11,15-16H,4-8H2,1-3H3
InChIKeySBIZHQVCRKYVNT-UHFFFAOYSA-N
XLogP1.27
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dimethyl-4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 3,5-dimethyl-4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate (CID 53005271) is ethyl 3,5-dimethyl-4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3,5-dimethyl-4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3,5-dimethyl-4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NCC2CCCO2)c1C.
What is the InChIKey of ethyl 3,5-dimethyl-4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate?
The InChIKey is SBIZHQVCRKYVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-4-20-14(17)12-9(2)13(10(3)16-12)22(18,19)15-8-11-6-5-7-21-11/h11,15-16H,4-8H2,1-3H3.
What are the key properties of ethyl 3,5-dimethyl-4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate?
ethyl 3,5-dimethyl-4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate has a molecular weight of 330.41 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dimethyl-4-(oxolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 53005271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).