[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl] 4-hydroxypiperidine-1-carboxylate

C22H31ClN2O6S — CID 11562172

IUPAC[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl] 4-hydroxypiperidine-1-carboxylate
SMILESCCC[C@@H]1COC[C@H](C2(OC(=O)N3CCC(O)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H31ClN2O6S/c1-2-3-17-14-30-15-20(25(17)32(28,29)19-6-4-16(23)5-7-19)22(10-11-22)31-21(27)24-12-8-18(26)9-13-24/h4-7,17-18,20,26H,2-3,8-15H2,1H3/t17-,20-/m1/s1
InChIKeyJDCDCEDGYYVFNE-YLJYHZDGSA-N
MW487.02 g/mol
LogP3.02
Rot. Bonds6

About [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl] 4-hydroxypiperidine-1-carboxylate

[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl] 4-hydroxypiperidine-1-carboxylate (PubChem CID 11562172) has the molecular formula C22H31ClN2O6S and a molecular weight of 487.02 g/mol. Its IUPAC name is [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl] 4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl] 4-hydroxypiperidine-1-carboxylate
PubChem CID11562172
Molecular FormulaC22H31ClN2O6S
Molecular Weight487.02 g/mol
Exact Mass486.16
IUPAC Name[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl] 4-hydroxypiperidine-1-carboxylate
SMILESCCC[C@@H]1COC[C@H](C2(OC(=O)N3CCC(O)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H31ClN2O6S/c1-2-3-17-14-30-15-20(25(17)32(28,29)19-6-4-16(23)5-7-19)22(10-11-22)31-21(27)24-12-8-18(26)9-13-24/h4-7,17-18,20,26H,2-3,8-15H2,1H3/t17-,20-/m1/s1
InChIKeyJDCDCEDGYYVFNE-YLJYHZDGSA-N
XLogP3.02
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.02
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 4-carbamoylpiperidine-1-carboxylate
CID 11497376
[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl] 8-piperidin-1-yl-5-azatricyclo[4.3.0.01,4]nonane-5-carboxylate
CID 143164454
tert-butyl-[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl]oxy-dimethylsilane
CID 59389225
[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]cyclopropyl] 4-acetylpiperazine-1-carboxylate
CID 11526349
[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-[4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]cyclopropyl] 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate
CID 67346038
[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
[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)-4-(4-chlorophenyl)sulfonylmorpholin-3-yl]cyclopropyl] 3-hydroxy-3-propylpyrrolidine-1-carboxylate
CID 143164472
[1-[[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]methyl]cyclopropyl] morpholine-4-carboxylate
CID 143164491
[1-[(3R,5R,6R)-4-(4-chlorophenyl)sulfonyl-5-cyclopropyl-6-methylmorpholin-3-yl]cyclopropyl] 8-propyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 58602854
[4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]methyl 3-hydroxypyrrolidine-1-carboxylate
CID 67347023

Frequently Asked Questions

What is the IUPAC name of [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl] 4-hydroxypiperidine-1-carboxylate?
The IUPAC name of [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl] 4-hydroxypiperidine-1-carboxylate (CID 11562172) is [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl] 4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl] 4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl] 4-hydroxypiperidine-1-carboxylate is CCC[C@@H]1COC[C@H](C2(OC(=O)N3CCC(O)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl] 4-hydroxypiperidine-1-carboxylate?
The InChIKey is JDCDCEDGYYVFNE-YLJYHZDGSA-N. The full InChI is InChI=1S/C22H31ClN2O6S/c1-2-3-17-14-30-15-20(25(17)32(28,29)19-6-4-16(23)5-7-19)22(10-11-22)31-21(27)24-12-8-18(26)9-13-24/h4-7,17-18,20,26H,2-3,8-15H2,1H3/t17-,20-/m1/s1.
What are the key properties of [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl] 4-hydroxypiperidine-1-carboxylate?
[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl] 4-hydroxypiperidine-1-carboxylate has a molecular weight of 487.02 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl] 4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 11562172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).