(2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine

C18H21NO3S — CID 25279605

IUPAC(2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine
SMILESO=S(=O)(c1ccccc1)N1CCO[C@H](CCc2ccccc2)C1
InChIInChI=1S/C18H21NO3S/c20-23(21,18-9-5-2-6-10-18)19-13-14-22-17(15-19)12-11-16-7-3-1-4-8-16/h1-10,17H,11-15H2/t17-/m1/s1
InChIKeyVAHWCQOZSBEBAY-QGZVFWFLSA-N
MW331.44 g/mol
LogP2.71
Rot. Bonds5

About (2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine

(2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine (PubChem CID 25279605) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is (2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine
PubChem CID25279605
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name(2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine
SMILESO=S(=O)(c1ccccc1)N1CCO[C@H](CCc2ccccc2)C1
InChIInChI=1S/C18H21NO3S/c20-23(21,18-9-5-2-6-10-18)19-13-14-22-17(15-19)12-11-16-7-3-1-4-8-16/h1-10,17H,11-15H2/t17-/m1/s1
InChIKeyVAHWCQOZSBEBAY-QGZVFWFLSA-N
XLogP2.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-phenylpropyl)-4-thiophen-3-ylsulfonylmorpholine
CID 26410413
4-(benzenesulfonyl)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholine
CID 110116467
2-benzyl-4-(4-fluorophenyl)sulfonylmorpholine
CID 110643937
methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate
CID 79771144
2-benzyl-4-(4-methoxyphenyl)sulfonylmorpholine
CID 110643940
4-[2-[(2S)-4-pyridin-3-ylsulfonylmorpholin-2-yl]ethyl]pyridin-2-amine
CID 124945564
2-benzyl-4-(2-phenylethylsulfonyl)morpholine
CID 110643972
2-(bromomethyl)-4-(2-phenylethylsulfonyl)morpholine
CID 81211671
3-(2-ethylmorpholin-4-yl)sulfonylaniline
CID 43562350
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
4-(benzenesulfonyl)morpholine-2-carbothioamide
CID 79674762
(2S)-4-cyclopentyl-2-(2-phenylethyl)morpholine
CID 25369976

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine?
The IUPAC name of (2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine (CID 25279605) is (2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine.
What is the SMILES notation for (2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine?
The canonical SMILES for (2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine is O=S(=O)(c1ccccc1)N1CCO[C@H](CCc2ccccc2)C1.
What is the InChIKey of (2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine?
The InChIKey is VAHWCQOZSBEBAY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21NO3S/c20-23(21,18-9-5-2-6-10-18)19-13-14-22-17(15-19)12-11-16-7-3-1-4-8-16/h1-10,17H,11-15H2/t17-/m1/s1.
What are the key properties of (2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine?
(2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine has a molecular weight of 331.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine is sourced from PubChem (CID 25279605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).