(2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexyl]-2-(methylsulfonylmethyl)morpholine

C23H31ClFN3O3S — CID 169321033

IUPAC(2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexyl]-2-(methylsulfonylmethyl)morpholine
SMILESCn1nc(C2CCC(N3C[C@H](CS(C)(=O)=O)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)cc1F
InChIInChI=1S/C23H31ClFN3O3S/c1-27-23(25)12-22(26-27)17-5-9-19(10-6-17)28-13-21(15-32(2,29)30)31-14-20(28)11-16-3-7-18(24)8-4-16/h3-4,7-8,12,17,19-21H,5-6,9-11,13-15H2,1-2H3/t17?,19?,20-,21+/m0/s1
InChIKeyHVDCOEKAXFHGIR-NLDTVIPQSA-N
MW484.04 g/mol
LogP3.60
Rot. Bonds6

About (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexyl]-2-(methylsulfonylmethyl)morpholine

(2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexyl]-2-(methylsulfonylmethyl)morpholine (PubChem CID 169321033) has the molecular formula C23H31ClFN3O3S and a molecular weight of 484.04 g/mol. Its IUPAC name is (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexyl]-2-(methylsulfonylmethyl)morpholine.

Molecular Properties

Compound Name(2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexyl]-2-(methylsulfonylmethyl)morpholine
PubChem CID169321033
Molecular FormulaC23H31ClFN3O3S
Molecular Weight484.04 g/mol
Exact Mass483.18
IUPAC Name(2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexyl]-2-(methylsulfonylmethyl)morpholine
SMILESCn1nc(C2CCC(N3C[C@H](CS(C)(=O)=O)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)cc1F
InChIInChI=1S/C23H31ClFN3O3S/c1-27-23(25)12-22(26-27)17-5-9-19(10-6-17)28-13-21(15-32(2,29)30)31-14-20(28)11-16-3-7-18(24)8-4-16/h3-4,7-8,12,17,19-21H,5-6,9-11,13-15H2,1-2H3/t17?,19?,20-,21+/m0/s1
InChIKeyHVDCOEKAXFHGIR-NLDTVIPQSA-N
XLogP3.60
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.04
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexyl]-2-(methylsulfonylmethyl)morpholine 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 (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexyl]-2-(methylsulfonylmethyl)morpholine?
The IUPAC name of (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexyl]-2-(methylsulfonylmethyl)morpholine (CID 169321033) is (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexyl]-2-(methylsulfonylmethyl)morpholine.
What is the SMILES notation for (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexyl]-2-(methylsulfonylmethyl)morpholine?
The canonical SMILES for (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexyl]-2-(methylsulfonylmethyl)morpholine is Cn1nc(C2CCC(N3C[C@H](CS(C)(=O)=O)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)cc1F.
What is the InChIKey of (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexyl]-2-(methylsulfonylmethyl)morpholine?
The InChIKey is HVDCOEKAXFHGIR-NLDTVIPQSA-N. The full InChI is InChI=1S/C23H31ClFN3O3S/c1-27-23(25)12-22(26-27)17-5-9-19(10-6-17)28-13-21(15-32(2,29)30)31-14-20(28)11-16-3-7-18(24)8-4-16/h3-4,7-8,12,17,19-21H,5-6,9-11,13-15H2,1-2H3/t17?,19?,20-,21+/m0/s1.
What are the key properties of (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexyl]-2-(methylsulfonylmethyl)morpholine?
(2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexyl]-2-(methylsulfonylmethyl)morpholine has a molecular weight of 484.04 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(4-chlorophenyl)methyl]-4-[4-(5-fluoro-1-methylpyrazol-3-yl)cyclohexyl]-2-(methylsulfonylmethyl)morpholine is sourced from PubChem (CID 169321033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).