(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate

C10H12NO4S2- — CID 2082658

IUPAC(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])s1
InChIInChI=1S/C10H13NO4S2/c1-7-4-5-9(16-7)17(14,15)11-6-2-3-8(11)10(12)13/h4-5,8H,2-3,6H2,1H3,(H,12,13)/p-1/t8-/m1/s1
InChIKeyXVCFDYYHZJBEBW-MRVPVSSYSA-M
MW274.34 g/mol
LogP-0.04
Rot. Bonds3

About (2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate

(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate (PubChem CID 2082658) has the molecular formula C10H12NO4S2- and a molecular weight of 274.34 g/mol. Its IUPAC name is (2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
PubChem CID2082658
Molecular FormulaC10H12NO4S2-
Molecular Weight274.34 g/mol
Exact Mass274.02
IUPAC Name(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])s1
InChIInChI=1S/C10H13NO4S2/c1-7-4-5-9(16-7)17(14,15)11-6-2-3-8(11)10(12)13/h4-5,8H,2-3,6H2,1H3,(H,12,13)/p-1/t8-/m1/s1
InChIKeyXVCFDYYHZJBEBW-MRVPVSSYSA-M
XLogP-0.04
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-Methylthiophen-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 3762482
1-[(5-Methyl-2-thienyl)sulfonyl]-2-piperidinecarboxylic acid
CID 2986460
methyl (8S)-7-(benzenesulfonyl)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylate
CID 72737561
(8S)-7-(benzenesulfonyl)-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 72737389
Methyl 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetate
CID 178317616
(2S,5S)-5-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 164642432
1-[5-(Trifluoromethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 121778650
(2S)-1-[5-(trifluoromethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 121778680
(2R)-1-[5-(trifluoromethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 121778684
(2R,5R)-5-methyl-1-[5-(trifluoromethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 132387690
methyl (2S,4R)-4-(dimethylamino)-1-[(2,5-dimethyl-3-thienyl)sulfonyl]pyrrolidine-2-carboxylate
CID 50967877
(2S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate
CID 2082085

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate?
The IUPAC name of (2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate (CID 2082658) is (2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for (2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for (2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate is Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])s1.
What is the InChIKey of (2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate?
The InChIKey is XVCFDYYHZJBEBW-MRVPVSSYSA-M. The full InChI is InChI=1S/C10H13NO4S2/c1-7-4-5-9(16-7)17(14,15)11-6-2-3-8(11)10(12)13/h4-5,8H,2-3,6H2,1H3,(H,12,13)/p-1/t8-/m1/s1.
What are the key properties of (2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate?
(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate has a molecular weight of 274.34 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 2082658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).