2-propan-2-yloxyethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate

C10H16N2O5S — CID 65382693

IUPAC2-propan-2-yloxyethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate
SMILESCC(C)OCCOC(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C10H16N2O5S/c1-7(2)16-3-4-17-10(13)9-5-8(6-12-9)18(11,14)15/h5-7,12H,3-4H2,1-2H3,(H2,11,14,15)
InChIKeyWKYCCNNQOJGNRE-UHFFFAOYSA-N
MW276.31 g/mol
LogP0.24
Rot. Bonds6

About 2-propan-2-yloxyethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate

2-propan-2-yloxyethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate (PubChem CID 65382693) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate
PubChem CID65382693
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name2-propan-2-yloxyethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate
SMILESCC(C)OCCOC(=O)c1cc(S(N)(=O)=O)c[nH]1
InChIInChI=1S/C10H16N2O5S/c1-7(2)16-3-4-17-10(13)9-5-8(6-12-9)18(11,14)15/h5-7,12H,3-4H2,1-2H3,(H2,11,14,15)
InChIKeyWKYCCNNQOJGNRE-UHFFFAOYSA-N
XLogP0.24
TPSA111.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methylbutyl 4-sulfamoyl-1H-pyrrole-2-carboxylate
CID 65380855
2-propan-2-yloxyethyl 3-sulfamoylbenzoate
CID 60643819
2-propan-2-yloxyethyl 2,3-dimethyl-5-sulfamoylbenzoate
CID 65382072
2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate
CID 60721282
N-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388887
N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65381999
2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79818645
N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 102915536
N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388360
N-(1-cyclopropylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65387153
N-(1-cyclopropylethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65386253
N-(1-methylsulfonylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65380794

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate?
The IUPAC name of 2-propan-2-yloxyethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate (CID 65382693) is 2-propan-2-yloxyethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for 2-propan-2-yloxyethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for 2-propan-2-yloxyethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate is CC(C)OCCOC(=O)c1cc(S(N)(=O)=O)c[nH]1.
What is the InChIKey of 2-propan-2-yloxyethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate?
The InChIKey is WKYCCNNQOJGNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S/c1-7(2)16-3-4-17-10(13)9-5-8(6-12-9)18(11,14)15/h5-7,12H,3-4H2,1-2H3,(H2,11,14,15).
What are the key properties of 2-propan-2-yloxyethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate?
2-propan-2-yloxyethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate has a molecular weight of 276.31 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 4-sulfamoyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 65382693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).