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

C12H17N3O5S — CID 64813703

IUPAC2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H17N3O5S/c1-15-6-7(21(13,19)20)5-10(15)11(16)14-9-4-2-3-8(9)12(17)18/h5-6,8-9H,2-4H2,1H3,(H,14,16)(H,17,18)(H2,13,19,20)
InChIKeyPEBSWMLLZHSPPD-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.34
Rot. Bonds4

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

2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64813703) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64813703
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H17N3O5S/c1-15-6-7(21(13,19)20)5-10(15)11(16)14-9-4-2-3-8(9)12(17)18/h5-6,8-9H,2-4H2,1H3,(H,14,16)(H,17,18)(H2,13,19,20)
InChIKeyPEBSWMLLZHSPPD-UHFFFAOYSA-N
XLogP-0.34
TPSA131.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 64813703) is 2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is Cn1cc(S(N)(=O)=O)cc1C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is PEBSWMLLZHSPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-15-6-7(21(13,19)20)5-10(15)11(16)14-9-4-2-3-8(9)12(17)18/h5-6,8-9H,2-4H2,1H3,(H,14,16)(H,17,18)(H2,13,19,20).
What are the key properties of 2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64813703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).