[(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone

C16H23N3O4S — CID 7355258

IUPAC[(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C16H23N3O4S/c1-13-3-5-15(6-4-13)24(21,22)18-11-14(2)19(12-18)16(20)17-7-9-23-10-8-17/h3-6,14H,7-12H2,1-2H3/t14-/m1/s1
InChIKeyOSTHMTCPLOEZDP-CQSZACIVSA-N
MW353.44 g/mol
LogP1.10
Rot. Bonds2

About [(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone

[(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 7355258) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is [(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID7355258
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name[(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C16H23N3O4S/c1-13-3-5-15(6-4-13)24(21,22)18-11-14(2)19(12-18)16(20)17-7-9-23-10-8-17/h3-6,14H,7-12H2,1-2H3/t14-/m1/s1
InChIKeyOSTHMTCPLOEZDP-CQSZACIVSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 1090398
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 3156708
morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24603019
[(2R,5S)-3-(benzenesulfonyl)-2,5-dimethylimidazolidin-1-yl]-morpholin-4-ylmethanone
CID 7450016
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 849899
4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-oxadiazecane
CID 13148160
1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine
CID 110707656
[3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 92557995
[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
CID 40791712
[(2R)-2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 59161395
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2332587

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone (CID 7355258) is [(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone is Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of [(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is OSTHMTCPLOEZDP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-13-3-5-15(6-4-13)24(21,22)18-11-14(2)19(12-18)16(20)17-7-9-23-10-8-17/h3-6,14H,7-12H2,1-2H3/t14-/m1/s1.
What are the key properties of [(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone?
[(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 353.44 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 7355258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).