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

C16H23N3O4S — CID 7450016

IUPAC[(2R,5S)-3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESC[C@@H]1N(C(=O)N2CCOCC2)[C@@H](C)CN1S(=O)(=O)c1ccccc1
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/t13-,14-/m0/s1
InChIKeyONXOGCHUQUXFAR-KBPBESRZSA-N
MW353.44 g/mol
LogP1.18
Rot. Bonds2

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

[(2R,5S)-3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 7450016) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is [(2R,5S)-3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R,5S)-3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID7450016
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name[(2R,5S)-3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESC[C@@H]1N(C(=O)N2CCOCC2)[C@@H](C)CN1S(=O)(=O)c1ccccc1
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/t13-,14-/m0/s1
InChIKeyONXOGCHUQUXFAR-KBPBESRZSA-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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Related Compounds

[(2R)-3-(4-fluorophenyl)sulfonyl-2-phenylimidazolidin-1-yl]-morpholin-4-ylmethanone
CID 8768152
[(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
CID 7355258
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197
[(2R,4S)-1-(benzenesulfonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110196831
6-methyl-1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 122104210
3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine
CID 110740223
(2S)-1-(benzenesulfonyl)-2-methylazetidine
CID 174287686
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine
CID 110707939
morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24603019
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide
CID 110352396
1-[(2R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone
CID 28565527

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2R,5S)-3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone (CID 7450016) is [(2R,5S)-3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2R,5S)-3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2R,5S)-3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone is C[C@@H]1N(C(=O)N2CCOCC2)[C@@H](C)CN1S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R,5S)-3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is ONXOGCHUQUXFAR-KBPBESRZSA-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/t13-,14-/m0/s1.
What are the key properties of [(2R,5S)-3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone?
[(2R,5S)-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 [(2R,5S)-3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 7450016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).