1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

C12H17N3O5S — CID 115445226

IUPAC1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C12H17N3O5S/c1-15-6-8(21(13,19)20)5-9(15)10(16)14-7-12(11(17)18)3-2-4-12/h5-6H,2-4,7H2,1H3,(H,14,16)(H,17,18)(H2,13,19,20)
InChIKeyFXLQZBHHSDYMTE-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.34
Rot. Bonds5

About 1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115445226) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115445226
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C12H17N3O5S/c1-15-6-8(21(13,19)20)5-9(15)10(16)14-7-12(11(17)18)3-2-4-12/h5-6H,2-4,7H2,1H3,(H,14,16)(H,17,18)(H2,13,19,20)
InChIKeyFXLQZBHHSDYMTE-UHFFFAOYSA-N
XLogP-0.34
TPSA131.49 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 ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

1-methyl-4-(piperazine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 9504111
ethyl 1-{[4-(piperidin-1-ylsulfonyl)-1H-pyrrol-2-yl]carbonyl}piperidine-3-carboxylate
CID 22552057
N,1-dimethyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 34032725
1-methyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 28818859
1-methyl-5-(methylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 42956149
N-ethyl-1-methyl-4-(propan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 30830525
N-methyl-N-[(2S)-4-methylpentan-2-yl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 30833211
4-[4-(Methoxymethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 75399539
4-[Cyclobutyl(2-hydroxyethyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 102675876
2-(1-methyl-4-sulfamoylpyrrol-2-yl)-2-oxo-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide
CID 122134735
4-[[1-(hydroxymethyl)cyclobutyl]-methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 126821565
4-(2,5-dihydropyrrol-1-ylsulfonyl)-N,1-dimethylpyrrole-2-carboxamide
CID 126840762

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 115445226) is 1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is Cn1cc(S(N)(=O)=O)cc1C(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is FXLQZBHHSDYMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-15-6-8(21(13,19)20)5-9(15)10(16)14-7-12(11(17)18)3-2-4-12/h5-6H,2-4,7H2,1H3,(H,14,16)(H,17,18)(H2,13,19,20).
What are the key properties of 1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115445226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).