4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid

C10H15N3O4S — CID 55029596

IUPAC4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2CCC(N)C2)cc1C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-12-6-8(4-9(12)10(14)15)18(16,17)13-3-2-7(11)5-13/h4,6-7H,2-3,5,11H2,1H3,(H,14,15)
InChIKeyGIXNNOXAWXXFKR-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.56
Rot. Bonds3

About 4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid

4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid (PubChem CID 55029596) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
PubChem CID55029596
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2CCC(N)C2)cc1C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-12-6-8(4-9(12)10(14)15)18(16,17)13-3-2-7(11)5-13/h4,6-7H,2-3,5,11H2,1H3,(H,14,15)
InChIKeyGIXNNOXAWXXFKR-UHFFFAOYSA-N
XLogP-0.56
TPSA105.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]-1-methylpyrrole-2-carboxylic acid
CID 99603317
4-(3-aminopiperidin-1-yl)sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 43605489
1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 16780683
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63032539
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 107214986
1-methyl-4-(4-methylazepan-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 63623741
4-(4-cyclopropylpiperazin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 60951652
4-(4-aminopiperidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
CID 61402858
4-(4-ethylpiperazin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 16780059
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxylic acid
CID 82752043
1-[3-(3-aminopyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 62067980
4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 114960857

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid (CID 55029596) is 4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid is Cn1cc(S(=O)(=O)N2CCC(N)C2)cc1C(=O)O.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid?
The InChIKey is GIXNNOXAWXXFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-12-6-8(4-9(12)10(14)15)18(16,17)13-3-2-7(11)5-13/h4,6-7H,2-3,5,11H2,1H3,(H,14,15).
What are the key properties of 4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid?
4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 55029596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).