methyl (3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholine-3-carboxylate

C16H20ClNO5S — CID 134943572

IUPACmethyl (3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholine-3-carboxylate
SMILESCOC(=O)[C@H]1COC[C@@H](CC2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO5S/c1-22-16(19)15-10-23-9-13(8-11-2-3-11)18(15)24(20,21)14-6-4-12(17)5-7-14/h4-7,11,13,15H,2-3,8-10H2,1H3/t13-,15-/m1/s1
InChIKeyCKYBOCANNMMSOE-UKRRQHHQSA-N
MW373.86 g/mol
LogP2.07
Rot. Bonds5

About methyl (3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholine-3-carboxylate

methyl (3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholine-3-carboxylate (PubChem CID 134943572) has the molecular formula C16H20ClNO5S and a molecular weight of 373.86 g/mol. Its IUPAC name is methyl (3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholine-3-carboxylate
PubChem CID134943572
Molecular FormulaC16H20ClNO5S
Molecular Weight373.86 g/mol
Exact Mass373.08
IUPAC Namemethyl (3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholine-3-carboxylate
SMILESCOC(=O)[C@H]1COC[C@@H](CC2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO5S/c1-22-16(19)15-10-23-9-13(8-11-2-3-11)18(15)24(20,21)14-6-4-12(17)5-7-14/h4-7,11,13,15H,2-3,8-10H2,1H3/t13-,15-/m1/s1
InChIKeyCKYBOCANNMMSOE-UKRRQHHQSA-N
XLogP2.07
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]methyl]cyclopropyl] morpholine-4-carboxylate
CID 143164491
[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 8-(ethylcarbamoyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 52946733
[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 4-carbamoylpiperidine-1-carboxylate
CID 11497376
methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 2357927
[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] (2S,5R)-2-ethyl-5-methyl-4-methylsulfonylpiperazine-1-carboxylate
CID 59389179
[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] (1R,5S)-8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 11519671
methyl 2-[(2S,6S)-1-(4-chlorophenyl)sulfonyl-6-ethylpiperidin-2-yl]prop-2-enoate
CID 58584473
(3S,5R)-4-(4-chlorophenyl)sulfonyl-3-cyclopropyl-5-(cyclopropylmethyl)morpholine;[5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone;uranium(2+)
CID 163613863
ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate
CID 59342392
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
CID 58932468
methyl (2R)-1-(4-methylphenyl)sulfonylazetidine-2-carboxylate
CID 102306773

Frequently Asked Questions

What is the IUPAC name of methyl (3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholine-3-carboxylate?
The IUPAC name of methyl (3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholine-3-carboxylate (CID 134943572) is methyl (3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl (3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholine-3-carboxylate?
The canonical SMILES for methyl (3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholine-3-carboxylate is COC(=O)[C@H]1COC[C@@H](CC2CC2)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl (3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholine-3-carboxylate?
The InChIKey is CKYBOCANNMMSOE-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H20ClNO5S/c1-22-16(19)15-10-23-9-13(8-11-2-3-11)18(15)24(20,21)14-6-4-12(17)5-7-14/h4-7,11,13,15H,2-3,8-10H2,1H3/t13-,15-/m1/s1.
What are the key properties of methyl (3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholine-3-carboxylate?
methyl (3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholine-3-carboxylate has a molecular weight of 373.86 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholine-3-carboxylate is sourced from PubChem (CID 134943572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).