(2R)-2-(benzenesulfonylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine

C15H17NO4S3 — CID 97354978

IUPAC(2R)-2-(benzenesulfonylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine
SMILESO=S(=O)(C[C@H]1CCCN1S(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C15H17NO4S3/c17-22(18,14-7-2-1-3-8-14)12-13-6-4-10-16(13)23(19,20)15-9-5-11-21-15/h1-3,5,7-9,11,13H,4,6,10,12H2/t13-/m1/s1
InChIKeyOTQPYRXEOWEVQJ-CYBMUJFWSA-N
MW371.50 g/mol
LogP2.38
Rot. Bonds5

About (2R)-2-(benzenesulfonylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine

(2R)-2-(benzenesulfonylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine (PubChem CID 97354978) has the molecular formula C15H17NO4S3 and a molecular weight of 371.50 g/mol. Its IUPAC name is (2R)-2-(benzenesulfonylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-(benzenesulfonylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine
PubChem CID97354978
Molecular FormulaC15H17NO4S3
Molecular Weight371.50 g/mol
Exact Mass371.03
IUPAC Name(2R)-2-(benzenesulfonylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine
SMILESO=S(=O)(C[C@H]1CCCN1S(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C15H17NO4S3/c17-22(18,14-7-2-1-3-8-14)12-13-6-4-10-16(13)23(19,20)15-9-5-11-21-15/h1-3,5,7-9,11,13H,4,6,10,12H2/t13-/m1/s1
InChIKeyOTQPYRXEOWEVQJ-CYBMUJFWSA-N
XLogP2.38
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzenesulfonylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine?
The IUPAC name of (2R)-2-(benzenesulfonylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine (CID 97354978) is (2R)-2-(benzenesulfonylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine.
What is the SMILES notation for (2R)-2-(benzenesulfonylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine?
The canonical SMILES for (2R)-2-(benzenesulfonylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine is O=S(=O)(C[C@H]1CCCN1S(=O)(=O)c1cccs1)c1ccccc1.
What is the InChIKey of (2R)-2-(benzenesulfonylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine?
The InChIKey is OTQPYRXEOWEVQJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17NO4S3/c17-22(18,14-7-2-1-3-8-14)12-13-6-4-10-16(13)23(19,20)15-9-5-11-21-15/h1-3,5,7-9,11,13H,4,6,10,12H2/t13-/m1/s1.
What are the key properties of (2R)-2-(benzenesulfonylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine?
(2R)-2-(benzenesulfonylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine has a molecular weight of 371.50 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzenesulfonylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 97354978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).