[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone

C16H22N2O4S — CID 2936742

IUPAC[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H22N2O4S/c1-13-4-6-14(7-5-13)23(20,21)18-8-2-3-15(18)16(19)17-9-11-22-12-10-17/h4-7,15H,2-3,8-12H2,1H3
InChIKeyFALZCZBOOSXIST-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.01
Rot. Bonds3

About [1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone

[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 2936742) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID2936742
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H22N2O4S/c1-13-4-6-14(7-5-13)23(20,21)18-8-2-3-15(18)16(19)17-9-11-22-12-10-17/h4-7,15H,2-3,8-12H2,1H3
InChIKeyFALZCZBOOSXIST-UHFFFAOYSA-N
XLogP1.01
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 2936742) is [1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCOCC2)cc1.
What is the InChIKey of [1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is FALZCZBOOSXIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-13-4-6-14(7-5-13)23(20,21)18-8-2-3-15(18)16(19)17-9-11-22-12-10-17/h4-7,15H,2-3,8-12H2,1H3.
What are the key properties of [1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 338.43 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2936742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).