methyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate

C14H21N3O6S — CID 46284104

IUPACmethyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCC(=O)N2CCOCC2)cn1C
InChIInChI=1S/C14H21N3O6S/c1-16-10-11(9-12(16)14(19)22-2)24(20,21)15-4-3-13(18)17-5-7-23-8-6-17/h9-10,15H,3-8H2,1-2H3
InChIKeyZINZWTBFAWOEIZ-UHFFFAOYSA-N
MW359.40 g/mol
LogP-0.66
Rot. Bonds6

About methyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate

methyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate (PubChem CID 46284104) has the molecular formula C14H21N3O6S and a molecular weight of 359.40 g/mol. Its IUPAC name is methyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate
PubChem CID46284104
Molecular FormulaC14H21N3O6S
Molecular Weight359.40 g/mol
Exact Mass359.12
IUPAC Namemethyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCC(=O)N2CCOCC2)cn1C
InChIInChI=1S/C14H21N3O6S/c1-16-10-11(9-12(16)14(19)22-2)24(20,21)15-4-3-13(18)17-5-7-23-8-6-17/h9-10,15H,3-8H2,1-2H3
InChIKeyZINZWTBFAWOEIZ-UHFFFAOYSA-N
XLogP-0.66
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 24980433
methyl 1-methyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284077
methyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 46284055
N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide
CID 47372172
4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 2242336
methyl 1-methyl-4-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate
CID 53004018
methyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate
CID 6623799
methyl 1-methyl-4-[[3-oxo-3-(4-propan-2-ylanilino)propyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284093
methyl 4-[[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 46284092
methyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 20938643
5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide
CID 115621420
4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 5083215

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate (CID 46284104) is methyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCCC(=O)N2CCOCC2)cn1C.
What is the InChIKey of methyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate?
The InChIKey is ZINZWTBFAWOEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O6S/c1-16-10-11(9-12(16)14(19)22-2)24(20,21)15-4-3-13(18)17-5-7-23-8-6-17/h9-10,15H,3-8H2,1-2H3.
What are the key properties of methyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate?
methyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate has a molecular weight of 359.40 g/mol, XLogP of -0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate is sourced from PubChem (CID 46284104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).