methyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate

C14H23N3O5S — CID 46284055

IUPACmethyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCC(=O)NC(C)(C)C)cn1C
InChIInChI=1S/C14H23N3O5S/c1-14(2,3)16-12(18)6-7-15-23(20,21)10-8-11(13(19)22-5)17(4)9-10/h8-9,15H,6-7H2,1-5H3,(H,16,18)
InChIKeySUAIYAQIWFSQTR-UHFFFAOYSA-N
MW345.42 g/mol
LogP0.39
Rot. Bonds6

About methyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate

methyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 46284055) has the molecular formula C14H23N3O5S and a molecular weight of 345.42 g/mol. Its IUPAC name is methyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID46284055
Molecular FormulaC14H23N3O5S
Molecular Weight345.42 g/mol
Exact Mass345.14
IUPAC Namemethyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCC(=O)NC(C)(C)C)cn1C
InChIInChI=1S/C14H23N3O5S/c1-14(2,3)16-12(18)6-7-15-23(20,21)10-8-11(13(19)22-5)17(4)9-10/h8-9,15H,6-7H2,1-5H3,(H,16,18)
InChIKeySUAIYAQIWFSQTR-UHFFFAOYSA-N
XLogP0.39
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-methyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284077
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 1-methyl-4-[(3-morpholin-4-yl-3-oxopropyl)sulfamoyl]pyrrole-2-carboxylate
CID 46284104
methyl 1-methyl-4-(2-phenylethylsulfamoyl)pyrrole-2-carboxylate
CID 6623799
1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 119973057
methyl 4-[2-[tert-butyl(furan-2-ylmethyl)amino]ethylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 20938647
methyl 1-methyl-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 121294894
methyl 1-methyl-4-(2-phenylpropylsulfamoyl)pyrrole-2-carboxylate
CID 20914102
methyl 4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 20938643
N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192795
4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 62664942

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate (CID 46284055) is methyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCCC(=O)NC(C)(C)C)cn1C.
What is the InChIKey of methyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is SUAIYAQIWFSQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5S/c1-14(2,3)16-12(18)6-7-15-23(20,21)10-8-11(13(19)22-5)17(4)9-10/h8-9,15H,6-7H2,1-5H3,(H,16,18).
What are the key properties of methyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate?
methyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 345.42 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(tert-butylamino)-3-oxopropyl]sulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 46284055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).