[3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone

C16H23N3O4S — CID 6498824

IUPAC[3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCC1CN(S(=O)(=O)c2ccccc2)C(C)N1C(=O)N1CCOCC1
InChIInChI=1S/C16H23N3O4S/c1-13-12-18(24(21,22)15-6-4-3-5-7-15)14(2)19(13)16(20)17-8-10-23-11-9-17/h3-7,13-14H,8-12H2,1-2H3
InChIKeyONXOGCHUQUXFAR-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.18
Rot. Bonds2

About [3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone

[3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 6498824) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is [3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID6498824
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name[3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCC1CN(S(=O)(=O)c2ccccc2)C(C)N1C(=O)N1CCOCC1
InChIInChI=1S/C16H23N3O4S/c1-13-12-18(24(21,22)15-6-4-3-5-7-15)14(2)19(13)16(20)17-8-10-23-11-9-17/h3-7,13-14H,8-12H2,1-2H3
InChIKeyONXOGCHUQUXFAR-UHFFFAOYSA-N
XLogP1.18
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone (CID 6498824) is [3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone is CC1CN(S(=O)(=O)c2ccccc2)C(C)N1C(=O)N1CCOCC1.
What is the InChIKey of [3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is ONXOGCHUQUXFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-13-12-18(24(21,22)15-6-4-3-5-7-15)14(2)19(13)16(20)17-8-10-23-11-9-17/h3-7,13-14H,8-12H2,1-2H3.
What are the key properties of [3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone?
[3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 353.44 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6498824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).