2-(benzenesulfinyl)-1-pyrrolidin-1-ylethanone

C12H15NO2S — CID 14383197

IUPAC2-(benzenesulfinyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CS(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C12H15NO2S/c14-12(13-8-4-5-9-13)10-16(15)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyJVWUVLIYBKABLH-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.42
Rot. Bonds3

About 2-(benzenesulfinyl)-1-pyrrolidin-1-ylethanone

2-(benzenesulfinyl)-1-pyrrolidin-1-ylethanone (PubChem CID 14383197) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(benzenesulfinyl)-1-pyrrolidin-1-ylethanone
PubChem CID14383197
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name2-(benzenesulfinyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(CS(=O)c1ccccc1)N1CCCC1
InChIInChI=1S/C12H15NO2S/c14-12(13-8-4-5-9-13)10-16(15)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyJVWUVLIYBKABLH-UHFFFAOYSA-N
XLogP1.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(benzenesulfinyl)-1-pyrrolidin-1-ylethanone (CID 14383197) is 2-(benzenesulfinyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(benzenesulfinyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(benzenesulfinyl)-1-pyrrolidin-1-ylethanone is O=C(CS(=O)c1ccccc1)N1CCCC1.
What is the InChIKey of 2-(benzenesulfinyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is JVWUVLIYBKABLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c14-12(13-8-4-5-9-13)10-16(15)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2.
What are the key properties of 2-(benzenesulfinyl)-1-pyrrolidin-1-ylethanone?
2-(benzenesulfinyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 237.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 14383197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).