[4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]methyl 3-hydroxypyrrolidine-1-carboxylate

C19H25ClN2O6S — CID 67347023

IUPAC[4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]methyl 3-hydroxypyrrolidine-1-carboxylate
SMILESO=C(OCC1COCC(C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(O)C1
InChIInChI=1S/C19H25ClN2O6S/c20-14-3-5-17(6-4-14)29(25,26)22-15(10-27-12-18(22)13-1-2-13)11-28-19(24)21-8-7-16(23)9-21/h3-6,13,15-16,18,23H,1-2,7-12H2
InChIKeyUOUKSXJZVZHMRC-UHFFFAOYSA-N
MW444.94 g/mol
LogP1.71
Rot. Bonds5

About [4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]methyl 3-hydroxypyrrolidine-1-carboxylate

[4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]methyl 3-hydroxypyrrolidine-1-carboxylate (PubChem CID 67347023) has the molecular formula C19H25ClN2O6S and a molecular weight of 444.94 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]methyl 3-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]methyl 3-hydroxypyrrolidine-1-carboxylate
PubChem CID67347023
Molecular FormulaC19H25ClN2O6S
Molecular Weight444.94 g/mol
Exact Mass444.11
IUPAC Name[4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]methyl 3-hydroxypyrrolidine-1-carboxylate
SMILESO=C(OCC1COCC(C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(O)C1
InChIInChI=1S/C19H25ClN2O6S/c20-14-3-5-17(6-4-14)29(25,26)22-15(10-27-12-18(22)13-1-2-13)11-28-19(24)21-8-7-16(23)9-21/h3-6,13,15-16,18,23H,1-2,7-12H2
InChIKeyUOUKSXJZVZHMRC-UHFFFAOYSA-N
XLogP1.71
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]methyl 3-hydroxypyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]methyl 3-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of [4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]methyl 3-hydroxypyrrolidine-1-carboxylate (CID 67347023) is [4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]methyl 3-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]methyl 3-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for [4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]methyl 3-hydroxypyrrolidine-1-carboxylate is O=C(OCC1COCC(C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(O)C1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]methyl 3-hydroxypyrrolidine-1-carboxylate?
The InChIKey is UOUKSXJZVZHMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O6S/c20-14-3-5-17(6-4-14)29(25,26)22-15(10-27-12-18(22)13-1-2-13)11-28-19(24)21-8-7-16(23)9-21/h3-6,13,15-16,18,23H,1-2,7-12H2.
What are the key properties of [4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]methyl 3-hydroxypyrrolidine-1-carboxylate?
[4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]methyl 3-hydroxypyrrolidine-1-carboxylate has a molecular weight of 444.94 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]methyl 3-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 67347023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).