[3-(benzenesulfonyl)-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone

C15H21N3O4S — CID 6498818

IUPAC[3-(benzenesulfonyl)-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCC1CN(S(=O)(=O)c2ccccc2)CN1C(=O)N1CCOCC1
InChIInChI=1S/C15H21N3O4S/c1-13-11-17(23(20,21)14-5-3-2-4-6-14)12-18(13)15(19)16-7-9-22-10-8-16/h2-6,13H,7-12H2,1H3
InChIKeyUCNQCUFXRXOMRR-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.79
Rot. Bonds2

About [3-(benzenesulfonyl)-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone

[3-(benzenesulfonyl)-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 6498818) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is [3-(benzenesulfonyl)-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(benzenesulfonyl)-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID6498818
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name[3-(benzenesulfonyl)-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCC1CN(S(=O)(=O)c2ccccc2)CN1C(=O)N1CCOCC1
InChIInChI=1S/C15H21N3O4S/c1-13-11-17(23(20,21)14-5-3-2-4-6-14)12-18(13)15(19)16-7-9-22-10-8-16/h2-6,13H,7-12H2,1H3
InChIKeyUCNQCUFXRXOMRR-UHFFFAOYSA-N
XLogP0.79
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-(Phenylsulfonyl)piperazin-1-yl)(pyrrolidin-1-yl)methanone
CID 701243
{3-[(4-Chlorophenyl)sulfonyl]imidazolidin-1-yl}(morpholin-4-yl)methanone
CID 6498821
1-[2-Isopropyl-3-(toluene-4-sulfonyl)-imidazolidin-1-yl]-2-morpholin-4-yl-ethanone
CID 654303
4-{2-Oxo-2-[3-(phenylsulfonyl)-1-imidazolidinyl]ethyl}morpholine
CID 747981
[4-(4-Fluoro-benzenesulfonyl)-piperazin-1-yl]-morpholin-4-yl-methanone
CID 1094976
N-ethyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 2987913
3-Benzenesulfonyl-2-methyl-imidazolidine-1-carboxylic acid dimethylamide
CID 6498839
(3-Benzenesulfonyl-imidazolidin-1-yl)-morpholin-4-yl-methanone
CID 656022
4-(2-{3-[(4-Methylphenyl)sulfonyl]imidazolidin-1-yl}-2-oxoethyl)morpholine
CID 1246518
(5-Methyl-3-{[3-(trifluoromethyl)phenyl]sulfonyl}imidazolidin-1-yl)(morpholin-4-yl)methanone
CID 6498823
{2,5-Dimethyl-3-[(4-methylphenyl)sulfonyl]imidazolidin-1-yl}(morpholin-4-yl)methanone
CID 6498825
[3-(4-Chloro-benzenesulfonyl)-2-methyl-imidazolidin-1-yl]-morpholin-4-yl-methanone
CID 6498827

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonyl)-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(benzenesulfonyl)-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone (CID 6498818) is [3-(benzenesulfonyl)-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(benzenesulfonyl)-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(benzenesulfonyl)-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone is CC1CN(S(=O)(=O)c2ccccc2)CN1C(=O)N1CCOCC1.
What is the InChIKey of [3-(benzenesulfonyl)-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is UCNQCUFXRXOMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-13-11-17(23(20,21)14-5-3-2-4-6-14)12-18(13)15(19)16-7-9-22-10-8-16/h2-6,13H,7-12H2,1H3.
What are the key properties of [3-(benzenesulfonyl)-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone?
[3-(benzenesulfonyl)-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 339.42 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)-5-methylimidazolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6498818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).