[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 4-carbamoylpiperidine-1-carboxylate

C24H32ClN3O6S — CID 11497376

IUPAC[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 4-carbamoylpiperidine-1-carboxylate
SMILESNC(=O)C1CCN(C(=O)OC2([C@H]3COC[C@@H](CC4CC4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C24H32ClN3O6S/c25-18-3-5-20(6-4-18)35(31,32)28-19(13-16-1-2-16)14-33-15-21(28)24(9-10-24)34-23(30)27-11-7-17(8-12-27)22(26)29/h3-6,16-17,19,21H,1-2,7-15H2,(H2,26,29)/t19-,21-/m1/s1
InChIKeyLOBYVKDVNARIKQ-TZIWHRDSSA-N
MW526.06 g/mol
LogP2.76
Rot. Bonds7

About [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 4-carbamoylpiperidine-1-carboxylate

[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 4-carbamoylpiperidine-1-carboxylate (PubChem CID 11497376) has the molecular formula C24H32ClN3O6S and a molecular weight of 526.06 g/mol. Its IUPAC name is [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 4-carbamoylpiperidine-1-carboxylate.

Molecular Properties

Compound Name[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 4-carbamoylpiperidine-1-carboxylate
PubChem CID11497376
Molecular FormulaC24H32ClN3O6S
Molecular Weight526.06 g/mol
Exact Mass525.17
IUPAC Name[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 4-carbamoylpiperidine-1-carboxylate
SMILESNC(=O)C1CCN(C(=O)OC2([C@H]3COC[C@@H](CC4CC4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C24H32ClN3O6S/c25-18-3-5-20(6-4-18)35(31,32)28-19(13-16-1-2-16)14-33-15-21(28)24(9-10-24)34-23(30)27-11-7-17(8-12-27)22(26)29/h3-6,16-17,19,21H,1-2,7-15H2,(H2,26,29)/t19-,21-/m1/s1
InChIKeyLOBYVKDVNARIKQ-TZIWHRDSSA-N
XLogP2.76
TPSA119.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.06
LogP ≤ 52.76
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] (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] 8-(ethylcarbamoyl)-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 52946733
[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl] 4-hydroxypiperidine-1-carboxylate
CID 11562172
[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] (2S,5R)-2-ethyl-5-methyl-4-methylsulfonylpiperazine-1-carboxylate
CID 59389179
[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]cyclopropyl] 4-acetylpiperazine-1-carboxylate
CID 11526349
[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-propylmorpholin-3-yl]cyclopropyl] 8-piperidin-1-yl-5-azatricyclo[4.3.0.01,4]nonane-5-carboxylate
CID 143164454
methyl (3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholine-3-carboxylate
CID 134943572
[1-[1-(4-chlorophenyl)sulfonyl-6-cyclopropylpiperidin-2-yl]cyclopropyl] 4-(cyclopropylmethyl)piperazine-1-carboxylate
CID 58850291
[1-[(3R,5R)-4-(5-chlorothiophen-2-yl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] (3R,5S)-3,5-dimethylpiperazine-1-carboxylate;[1-[(3R,5R)-4-(5-chlorothiophen-2-yl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 4-methyl-3-oxopiperazine-1-carboxylate;[1-[(3R,5R)-4-(5-chlorothiophen-2-yl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] piperidine-1-carboxylate
CID 158231191
tert-butyl-[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propylmorpholin-3-yl]cyclopropyl]oxy-dimethylsilane
CID 59389225

Frequently Asked Questions

What is the IUPAC name of [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 4-carbamoylpiperidine-1-carboxylate?
The IUPAC name of [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 4-carbamoylpiperidine-1-carboxylate (CID 11497376) is [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 4-carbamoylpiperidine-1-carboxylate.
What is the SMILES notation for [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 4-carbamoylpiperidine-1-carboxylate?
The canonical SMILES for [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 4-carbamoylpiperidine-1-carboxylate is NC(=O)C1CCN(C(=O)OC2([C@H]3COC[C@@H](CC4CC4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 4-carbamoylpiperidine-1-carboxylate?
The InChIKey is LOBYVKDVNARIKQ-TZIWHRDSSA-N. The full InChI is InChI=1S/C24H32ClN3O6S/c25-18-3-5-20(6-4-18)35(31,32)28-19(13-16-1-2-16)14-33-15-21(28)24(9-10-24)34-23(30)27-11-7-17(8-12-27)22(26)29/h3-6,16-17,19,21H,1-2,7-15H2,(H2,26,29)/t19-,21-/m1/s1.
What are the key properties of [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 4-carbamoylpiperidine-1-carboxylate?
[1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 4-carbamoylpiperidine-1-carboxylate has a molecular weight of 526.06 g/mol, XLogP of 2.76, 7 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-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] 4-carbamoylpiperidine-1-carboxylate is sourced from PubChem (CID 11497376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).