ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate

C10H16N2O4S — CID 114612614

IUPACethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(N)(=O)=O)cn1C(C)C
InChIInChI=1S/C10H16N2O4S/c1-4-16-10(13)9-5-8(17(11,14)15)6-12(9)7(2)3/h5-7H,4H2,1-3H3,(H2,11,14,15)
InChIKeyIOLSGOVJMWXNNI-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.89
Rot. Bonds4

About ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate

ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate (PubChem CID 114612614) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
PubChem CID114612614
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Nameethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(N)(=O)=O)cn1C(C)C
InChIInChI=1S/C10H16N2O4S/c1-4-16-10(13)9-5-8(17(11,14)15)6-12(9)7(2)3/h5-7H,4H2,1-3H3,(H2,11,14,15)
InChIKeyIOLSGOVJMWXNNI-UHFFFAOYSA-N
XLogP0.89
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 103286182
pentan-2-yl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 102988547
3,3-dimethylbutyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 114612788
ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 45089372
N-(4-methylpentan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612172
N-ethyl-1-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612110
N-(cyclopropylmethyl)-N-ethyl-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612366
ethyl 1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxylate
CID 114612617
N-(4-methylpentyl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612342
2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612702
N-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612374
5-(3-methylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 114612226

Frequently Asked Questions

What is the IUPAC name of ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate?
The IUPAC name of ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate (CID 114612614) is ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate is CCOC(=O)c1cc(S(N)(=O)=O)cn1C(C)C.
What is the InChIKey of ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate?
The InChIKey is IOLSGOVJMWXNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-4-16-10(13)9-5-8(17(11,14)15)6-12(9)7(2)3/h5-7H,4H2,1-3H3,(H2,11,14,15).
What are the key properties of ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate?
ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate has a molecular weight of 260.31 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate is sourced from PubChem (CID 114612614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).