cyclopropyl-[(2R)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholin-2-yl]methanone

C17H23NO6S — CID 100762109

IUPACcyclopropyl-[(2R)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholin-2-yl]methanone
SMILESCOc1cc(C)c(S(=O)(=O)N2CCO[C@@H](C(=O)C3CC3)C2)cc1OC
InChIInChI=1S/C17H23NO6S/c1-11-8-13(22-2)14(23-3)9-16(11)25(20,21)18-6-7-24-15(10-18)17(19)12-4-5-12/h8-9,12,15H,4-7,10H2,1-3H3/t15-/m1/s1
InChIKeyOYMPDERQWFXLIG-OAHLLOKOSA-N
MW369.44 g/mol
LogP1.38
Rot. Bonds6

About cyclopropyl-[(2R)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholin-2-yl]methanone

cyclopropyl-[(2R)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholin-2-yl]methanone (PubChem CID 100762109) has the molecular formula C17H23NO6S and a molecular weight of 369.44 g/mol. Its IUPAC name is cyclopropyl-[(2R)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholin-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2R)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholin-2-yl]methanone
PubChem CID100762109
Molecular FormulaC17H23NO6S
Molecular Weight369.44 g/mol
Exact Mass369.12
IUPAC Namecyclopropyl-[(2R)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholin-2-yl]methanone
SMILESCOc1cc(C)c(S(=O)(=O)N2CCO[C@@H](C(=O)C3CC3)C2)cc1OC
InChIInChI=1S/C17H23NO6S/c1-11-8-13(22-2)14(23-3)9-16(11)25(20,21)18-6-7-24-15(10-18)17(19)12-4-5-12/h8-9,12,15H,4-7,10H2,1-3H3/t15-/m1/s1
InChIKeyOYMPDERQWFXLIG-OAHLLOKOSA-N
XLogP1.38
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962598
N-[[5-[(2S)-2-(cyclopropanecarbonyl)morpholin-4-yl]sulfonyl-2-methoxyphenyl]methyl]propanamide
CID 100762123
N-[[5-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]sulfonyl-2-methoxyphenyl]methyl]propanamide
CID 100762127
ethyl 1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 35291596
1-[1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidin-3-yl]azepane
CID 86900555
cyclopropyl-[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanone
CID 136542506
(3S)-1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 104976424
2-(4-chlorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine
CID 110327129
4-[4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 55627528
1-(2-chloro-4,5-dimethoxyphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 122068483
1-[1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974814
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 3144185

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2R)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholin-2-yl]methanone?
The IUPAC name of cyclopropyl-[(2R)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholin-2-yl]methanone (CID 100762109) is cyclopropyl-[(2R)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholin-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2R)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholin-2-yl]methanone?
The canonical SMILES for cyclopropyl-[(2R)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholin-2-yl]methanone is COc1cc(C)c(S(=O)(=O)N2CCO[C@@H](C(=O)C3CC3)C2)cc1OC.
What is the InChIKey of cyclopropyl-[(2R)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholin-2-yl]methanone?
The InChIKey is OYMPDERQWFXLIG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO6S/c1-11-8-13(22-2)14(23-3)9-16(11)25(20,21)18-6-7-24-15(10-18)17(19)12-4-5-12/h8-9,12,15H,4-7,10H2,1-3H3/t15-/m1/s1.
What are the key properties of cyclopropyl-[(2R)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholin-2-yl]methanone?
cyclopropyl-[(2R)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholin-2-yl]methanone has a molecular weight of 369.44 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2R)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholin-2-yl]methanone is sourced from PubChem (CID 100762109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).