1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid

C12H17N3O5S — CID 81165438

IUPAC1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid
SMILESCNC(=O)c1cc(S(=O)(=O)NC2(C(=O)O)CCC2)cn1C
InChIInChI=1S/C12H17N3O5S/c1-13-10(16)9-6-8(7-15(9)2)21(19,20)14-12(11(17)18)4-3-5-12/h6-7,14H,3-5H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyAWAGPPJBBPXWLA-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.33
Rot. Bonds5

About 1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid

1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid (PubChem CID 81165438) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid
PubChem CID81165438
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid
SMILESCNC(=O)c1cc(S(=O)(=O)NC2(C(=O)O)CCC2)cn1C
InChIInChI=1S/C12H17N3O5S/c1-13-10(16)9-6-8(7-15(9)2)21(19,20)14-12(11(17)18)4-3-5-12/h6-7,14H,3-5H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyAWAGPPJBBPXWLA-UHFFFAOYSA-N
XLogP-0.33
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

4-[(1-hydroxycyclobutyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115753892
4-[(1-aminocycloheptyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 119998679
4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 62664942
N,1-dimethyl-4-[(4-methylpiperidin-4-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 120720016
(2S,3R)-3-hydroxy-2-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]butanoic acid
CID 104935223
N,1-dimethyl-4-[(3-methylpiperidin-3-yl)methylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 120720680
4-[(4-aminocyclohexyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 79114557
3-methyl-4-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]butanoic acid
CID 81066158
4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 103871490
4-[[(1R,2S)-2-cyclobutylcyclopropyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 126821603
N,1-dimethyl-4-(pyrrolidin-2-ylmethylsulfamoyl)pyrrole-2-carboxamide
CID 62541291
4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 65113366

Frequently Asked Questions

What is the IUPAC name of 1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid (CID 81165438) is 1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid is CNC(=O)c1cc(S(=O)(=O)NC2(C(=O)O)CCC2)cn1C.
What is the InChIKey of 1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid?
The InChIKey is AWAGPPJBBPXWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-13-10(16)9-6-8(7-15(9)2)21(19,20)14-12(11(17)18)4-3-5-12/h6-7,14H,3-5H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid?
1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of -0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81165438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).