3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid

C10H14N2O4S2 — CID 107323845

IUPAC3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCC(N)(C(=O)O)C2)s1
InChIInChI=1S/C10H14N2O4S2/c1-7-2-3-8(17-7)18(15,16)12-5-4-10(11,6-12)9(13)14/h2-3H,4-6,11H2,1H3,(H,13,14)
InChIKeyIUZBUOLHCNMWCE-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.23
Rot. Bonds3

About 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid

3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid (PubChem CID 107323845) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
PubChem CID107323845
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCC(N)(C(=O)O)C2)s1
InChIInChI=1S/C10H14N2O4S2/c1-7-2-3-8(17-7)18(15,16)12-5-4-10(11,6-12)9(13)14/h2-3H,4-6,11H2,1H3,(H,13,14)
InChIKeyIUZBUOLHCNMWCE-UHFFFAOYSA-N
XLogP0.23
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol
CID 113343869
3-amino-1-(2-bromophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 107323812
3-amino-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 107324137
1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123700
2-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]acetic acid
CID 78980451
2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102850015
1-(5-methylthiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carbonitrile
CID 110711569
ethyl 1-(5-methylthiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperidine-4-carboxylate
CID 26410876
3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107324162
3-amino-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 107323926
3-amino-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 107323895
1-(5-bromothiophen-2-yl)sulfonyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982946

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid (CID 107323845) is 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid is Cc1ccc(S(=O)(=O)N2CCC(N)(C(=O)O)C2)s1.
What is the InChIKey of 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is IUZBUOLHCNMWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-7-2-3-8(17-7)18(15,16)12-5-4-10(11,6-12)9(13)14/h2-3H,4-6,11H2,1H3,(H,13,14).
What are the key properties of 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid?
3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).