1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone

C16H23N3O4S — CID 1246518

IUPAC1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2)cc1
InChIInChI=1S/C16H23N3O4S/c1-14-2-4-15(5-3-14)24(21,22)19-7-6-18(13-19)16(20)12-17-8-10-23-11-9-17/h2-5H,6-13H2,1H3
InChIKeyNTNMJKMUPLGAAU-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.12
Rot. Bonds4

About 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone

1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 1246518) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID1246518
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2)cc1
InChIInChI=1S/C16H23N3O4S/c1-14-2-4-15(5-3-14)24(21,22)19-7-6-18(13-19)16(20)12-17-8-10-23-11-9-17/h2-5H,6-13H2,1H3
InChIKeyNTNMJKMUPLGAAU-UHFFFAOYSA-N
XLogP0.12
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone (CID 1246518) is 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is NTNMJKMUPLGAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-14-2-4-15(5-3-14)24(21,22)19-7-6-18(13-19)16(20)12-17-8-10-23-11-9-17/h2-5H,6-13H2,1H3.
What are the key properties of 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone?
1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 353.44 g/mol, XLogP of 0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 1246518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).