2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate

C12H20N2O4S — CID 114612702

IUPAC2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
SMILESCCCn1cc(S(N)(=O)=O)cc1C(=O)OCC(C)C
InChIInChI=1S/C12H20N2O4S/c1-4-5-14-7-10(19(13,16)17)6-11(14)12(15)18-8-9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H2,13,16,17)
InChIKeyNPHUOPATOUALDD-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.36
Rot. Bonds6

About 2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate

2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate (PubChem CID 114612702) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
PubChem CID114612702
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
SMILESCCCn1cc(S(N)(=O)=O)cc1C(=O)OCC(C)C
InChIInChI=1S/C12H20N2O4S/c1-4-5-14-7-10(19(13,16)17)6-11(14)12(15)18-8-9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H2,13,16,17)
InChIKeyNPHUOPATOUALDD-UHFFFAOYSA-N
XLogP1.36
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methylpentyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612732
butan-2-yl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612651
2-methylpropyl 4-sulfamoyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate
CID 114612703
cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612665
3-methylbutyl 1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylate
CID 114612712
N-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612236
ethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 114611653
2-methylpentyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 103286182
1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid
CID 114612786
ethyl 1-propan-2-yl-4-sulfamoylpyrrole-2-carboxylate
CID 114612614
(3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate
CID 61315296
2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61309440

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate?
The IUPAC name of 2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate (CID 114612702) is 2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate?
The canonical SMILES for 2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate is CCCn1cc(S(N)(=O)=O)cc1C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate?
The InChIKey is NPHUOPATOUALDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-4-5-14-7-10(19(13,16)17)6-11(14)12(15)18-8-9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H2,13,16,17).
What are the key properties of 2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate?
2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate has a molecular weight of 288.37 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate is sourced from PubChem (CID 114612702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).