2-(benzenesulfonylmethyl)-1-cyclopropylsulfonylpyrrolidine

C14H19NO4S2 — CID 71805893

IUPAC2-(benzenesulfonylmethyl)-1-cyclopropylsulfonylpyrrolidine
SMILESO=S(=O)(CC1CCCN1S(=O)(=O)C1CC1)c1ccccc1
InChIInChI=1S/C14H19NO4S2/c16-20(17,13-6-2-1-3-7-13)11-12-5-4-10-15(12)21(18,19)14-8-9-14/h1-3,6-7,12,14H,4-5,8-11H2
InChIKeyCDUCHCZVOKQDJJ-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.42
Rot. Bonds5

About 2-(benzenesulfonylmethyl)-1-cyclopropylsulfonylpyrrolidine

2-(benzenesulfonylmethyl)-1-cyclopropylsulfonylpyrrolidine (PubChem CID 71805893) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-1-cyclopropylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-1-cyclopropylsulfonylpyrrolidine
PubChem CID71805893
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC Name2-(benzenesulfonylmethyl)-1-cyclopropylsulfonylpyrrolidine
SMILESO=S(=O)(CC1CCCN1S(=O)(=O)C1CC1)c1ccccc1
InChIInChI=1S/C14H19NO4S2/c16-20(17,13-6-2-1-3-7-13)11-12-5-4-10-15(12)21(18,19)14-8-9-14/h1-3,6-7,12,14H,4-5,8-11H2
InChIKeyCDUCHCZVOKQDJJ-UHFFFAOYSA-N
XLogP1.42
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-1-cyclopropylsulfonylpyrrolidine?
The IUPAC name of 2-(benzenesulfonylmethyl)-1-cyclopropylsulfonylpyrrolidine (CID 71805893) is 2-(benzenesulfonylmethyl)-1-cyclopropylsulfonylpyrrolidine.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-1-cyclopropylsulfonylpyrrolidine?
The canonical SMILES for 2-(benzenesulfonylmethyl)-1-cyclopropylsulfonylpyrrolidine is O=S(=O)(CC1CCCN1S(=O)(=O)C1CC1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-1-cyclopropylsulfonylpyrrolidine?
The InChIKey is CDUCHCZVOKQDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S2/c16-20(17,13-6-2-1-3-7-13)11-12-5-4-10-15(12)21(18,19)14-8-9-14/h1-3,6-7,12,14H,4-5,8-11H2.
What are the key properties of 2-(benzenesulfonylmethyl)-1-cyclopropylsulfonylpyrrolidine?
2-(benzenesulfonylmethyl)-1-cyclopropylsulfonylpyrrolidine has a molecular weight of 329.44 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-1-cyclopropylsulfonylpyrrolidine is sourced from PubChem (CID 71805893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).