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

C19H28N2O4S — CID 2961720

IUPAC[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-19(2,3)15-6-8-16(9-7-15)26(23,24)21-10-4-5-17(21)18(22)20-11-13-25-14-12-20/h6-9,17H,4-5,10-14H2,1-3H3
InChIKeyQLHRGQHIHDHEKX-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.00
Rot. Bonds3

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

[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 2961720) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is [1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID2961720
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-19(2,3)15-6-8-16(9-7-15)26(23,24)21-10-4-5-17(21)18(22)20-11-13-25-14-12-20/h6-9,17H,4-5,10-14H2,1-3H3
InChIKeyQLHRGQHIHDHEKX-UHFFFAOYSA-N
XLogP2.00
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 2961720) is [1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone is CC(C)(C)c1ccc(S(=O)(=O)N2CCCC2C(=O)N2CCOCC2)cc1.
What is the InChIKey of [1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is QLHRGQHIHDHEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-19(2,3)15-6-8-16(9-7-15)26(23,24)21-10-4-5-17(21)18(22)20-11-13-25-14-12-20/h6-9,17H,4-5,10-14H2,1-3H3.
What are the key properties of [1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 380.51 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2961720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).