4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid

C8H10N2O4S — CID 43440229

IUPAC4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCC2)c[nH]1
InChIInChI=1S/C8H10N2O4S/c11-8(12)7-4-6(5-9-7)15(13,14)10-2-1-3-10/h4-5,9H,1-3H2,(H,11,12)
InChIKeyIIURSFFZEYHNMU-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.11
Rot. Bonds3

About 4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid

4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 43440229) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is 4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid
PubChem CID43440229
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Name4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCC2)c[nH]1
InChIInChI=1S/C8H10N2O4S/c11-8(12)7-4-6(5-9-7)15(13,14)10-2-1-3-10/h4-5,9H,1-3H2,(H,11,12)
InChIKeyIIURSFFZEYHNMU-UHFFFAOYSA-N
XLogP0.11
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 28740525
4-(4-acetylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 29034568
4-[(3-oxo-1,4-diazepan-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 65366054
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 18108104
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 43208784
N-(2-hydroxyethyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 43392938
4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyrrole-2-carboxylic acid
CID 63168236
4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 43562582
4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 114395612
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid
CID 63014472
N-butyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106265
N-(1-hydroxypropan-2-yl)-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 115869488

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid (CID 43440229) is 4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)N2CCC2)c[nH]1.
What is the InChIKey of 4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is IIURSFFZEYHNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c11-8(12)7-4-6(5-9-7)15(13,14)10-2-1-3-10/h4-5,9H,1-3H2,(H,11,12).
What are the key properties of 4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid?
4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 230.24 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43440229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).