cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate

C12H18N2O4S — CID 114612665

IUPACcyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
SMILESCCCn1cc(S(N)(=O)=O)cc1C(=O)OCC1CC1
InChIInChI=1S/C12H18N2O4S/c1-2-5-14-7-10(19(13,16)17)6-11(14)12(15)18-8-9-3-4-9/h6-7,9H,2-5,8H2,1H3,(H2,13,16,17)
InChIKeyHACRRPGUMURWFS-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.11
Rot. Bonds6

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

cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate (PubChem CID 114612665) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
PubChem CID114612665
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namecyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
SMILESCCCn1cc(S(N)(=O)=O)cc1C(=O)OCC1CC1
InChIInChI=1S/C12H18N2O4S/c1-2-5-14-7-10(19(13,16)17)6-11(14)12(15)18-8-9-3-4-9/h6-7,9H,2-5,8H2,1H3,(H2,13,16,17)
InChIKeyHACRRPGUMURWFS-UHFFFAOYSA-N
XLogP1.11
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentylmethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 114611828
2-methylpropyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612702
N-(cyclopropylmethyl)-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612217
cyclopropylmethyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate
CID 114611702
N-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612598
butan-2-yl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612651
4-methylpentyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612732
oxan-4-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate
CID 62383490
2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 106207038
N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612108
cyclohexylmethyl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 114611798
5-(3-methoxypyrrolidine-1-carbonyl)-1-propylpyrrole-3-sulfonamide
CID 103540961

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate?
The IUPAC name of cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate (CID 114612665) is cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate.
What is the SMILES notation for cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate?
The canonical SMILES for cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate is CCCn1cc(S(N)(=O)=O)cc1C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate?
The InChIKey is HACRRPGUMURWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-2-5-14-7-10(19(13,16)17)6-11(14)12(15)18-8-9-3-4-9/h6-7,9H,2-5,8H2,1H3,(H2,13,16,17).
What are the key properties of cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate?
cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate has a molecular weight of 286.35 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate is sourced from PubChem (CID 114612665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).