1-[(4R)-4-thiophen-2-ylsulfonylthiolan-3-yl]pyrrolidine

C12H17NO2S3 — CID 138663364

IUPAC1-[(4R)-4-thiophen-2-ylsulfonylthiolan-3-yl]pyrrolidine
SMILESO=S(=O)(c1cccs1)[C@H]1CSCC1N1CCCC1
InChIInChI=1S/C12H17NO2S3/c14-18(15,12-4-3-7-17-12)11-9-16-8-10(11)13-5-1-2-6-13/h3-4,7,10-11H,1-2,5-6,8-9H2/t10?,11-/m0/s1
InChIKeyXLDBKBVKUHJREU-DTIOYNMSSA-N
MW303.47 g/mol
LogP2.10
Rot. Bonds3

About 1-[(4R)-4-thiophen-2-ylsulfonylthiolan-3-yl]pyrrolidine

1-[(4R)-4-thiophen-2-ylsulfonylthiolan-3-yl]pyrrolidine (PubChem CID 138663364) has the molecular formula C12H17NO2S3 and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-[(4R)-4-thiophen-2-ylsulfonylthiolan-3-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(4R)-4-thiophen-2-ylsulfonylthiolan-3-yl]pyrrolidine
PubChem CID138663364
Molecular FormulaC12H17NO2S3
Molecular Weight303.47 g/mol
Exact Mass303.04
IUPAC Name1-[(4R)-4-thiophen-2-ylsulfonylthiolan-3-yl]pyrrolidine
SMILESO=S(=O)(c1cccs1)[C@H]1CSCC1N1CCCC1
InChIInChI=1S/C12H17NO2S3/c14-18(15,12-4-3-7-17-12)11-9-16-8-10(11)13-5-1-2-6-13/h3-4,7,10-11H,1-2,5-6,8-9H2/t10?,11-/m0/s1
InChIKeyXLDBKBVKUHJREU-DTIOYNMSSA-N
XLogP2.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-thiophen-2-ylsulfonylthiolan-3-yl]pyrrolidine?
The IUPAC name of 1-[(4R)-4-thiophen-2-ylsulfonylthiolan-3-yl]pyrrolidine (CID 138663364) is 1-[(4R)-4-thiophen-2-ylsulfonylthiolan-3-yl]pyrrolidine.
What is the SMILES notation for 1-[(4R)-4-thiophen-2-ylsulfonylthiolan-3-yl]pyrrolidine?
The canonical SMILES for 1-[(4R)-4-thiophen-2-ylsulfonylthiolan-3-yl]pyrrolidine is O=S(=O)(c1cccs1)[C@H]1CSCC1N1CCCC1.
What is the InChIKey of 1-[(4R)-4-thiophen-2-ylsulfonylthiolan-3-yl]pyrrolidine?
The InChIKey is XLDBKBVKUHJREU-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H17NO2S3/c14-18(15,12-4-3-7-17-12)11-9-16-8-10(11)13-5-1-2-6-13/h3-4,7,10-11H,1-2,5-6,8-9H2/t10?,11-/m0/s1.
What are the key properties of 1-[(4R)-4-thiophen-2-ylsulfonylthiolan-3-yl]pyrrolidine?
1-[(4R)-4-thiophen-2-ylsulfonylthiolan-3-yl]pyrrolidine has a molecular weight of 303.47 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-thiophen-2-ylsulfonylthiolan-3-yl]pyrrolidine is sourced from PubChem (CID 138663364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).