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

C10H12NO4S2- — CID 2082656

IUPAC(2S)-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-/m0/s1
InChIKeyXVCFDYYHZJBEBW-QMMMGPOBSA-M
MW274.34 g/mol
LogP-0.04
Rot. Bonds3

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

(2S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate (PubChem CID 2082656) has the molecular formula C10H12NO4S2- and a molecular weight of 274.34 g/mol. Its IUPAC name is (2S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
PubChem CID2082656
Molecular FormulaC10H12NO4S2-
Molecular Weight274.34 g/mol
Exact Mass274.02
IUPAC Name(2S)-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-/m0/s1
InChIKeyXVCFDYYHZJBEBW-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate?
The IUPAC name of (2S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate (CID 2082656) is (2S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for (2S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for (2S)-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 (2S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate?
The InChIKey is XVCFDYYHZJBEBW-QMMMGPOBSA-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-/m0/s1.
What are the key properties of (2S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate?
(2S)-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 (2S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 2082656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).