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

C14H19N3O4S — CID 656022

IUPAC[3-(benzenesulfonyl)imidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H19N3O4S/c18-14(15-8-10-21-11-9-15)16-6-7-17(12-16)22(19,20)13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyBQMNMGZWFMTPIW-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.40
Rot. Bonds2

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

[3-(benzenesulfonyl)imidazolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 656022) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is [3-(benzenesulfonyl)imidazolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(benzenesulfonyl)imidazolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID656022
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name[3-(benzenesulfonyl)imidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H19N3O4S/c18-14(15-8-10-21-11-9-15)16-6-7-17(12-16)22(19,20)13-4-2-1-3-5-13/h1-5H,6-12H2
InChIKeyBQMNMGZWFMTPIW-UHFFFAOYSA-N
XLogP0.40
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.40
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,N-diethyl-4-(phenylsulfonyl)piperazine-1-carboxamide
CID 2928233
N-ethyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 2987913
[5-Methyl-3-(phenylsulfonyl)imidazolidin-1-yl](morpholin-4-yl)methanone
CID 6498818
3-Benzenesulfonyl-2-methyl-imidazolidine-1-carboxylic acid dimethylamide
CID 6498839
4-(2-{3-[(4-Methylphenyl)sulfonyl]imidazolidin-1-yl}-2-oxoethyl)morpholine
CID 1246518
{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)imidazolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(benzenesulfonyl)imidazolidin-1-yl]-morpholin-4-ylmethanone (CID 656022) is [3-(benzenesulfonyl)imidazolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(benzenesulfonyl)imidazolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(benzenesulfonyl)imidazolidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of [3-(benzenesulfonyl)imidazolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is BQMNMGZWFMTPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c18-14(15-8-10-21-11-9-15)16-6-7-17(12-16)22(19,20)13-4-2-1-3-5-13/h1-5H,6-12H2.
What are the key properties of [3-(benzenesulfonyl)imidazolidin-1-yl]-morpholin-4-ylmethanone?
[3-(benzenesulfonyl)imidazolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 325.39 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)imidazolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 656022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).