(2S)-2-(4-methylsulfonylphenyl)morpholine

C11H15NO3S — CID 93302356

IUPAC(2S)-2-(4-methylsulfonylphenyl)morpholine
SMILESCS(=O)(=O)c1ccc([C@H]2CNCCO2)cc1
InChIInChI=1S/C11H15NO3S/c1-16(13,14)10-4-2-9(3-5-10)11-8-12-6-7-15-11/h2-5,11-12H,6-8H2,1H3/t11-/m1/s1
InChIKeyXTWWKBPFMXUQJP-LLVKDONJSA-N
MW241.31 g/mol
LogP0.75
Rot. Bonds2

About (2S)-2-(4-methylsulfonylphenyl)morpholine

(2S)-2-(4-methylsulfonylphenyl)morpholine (PubChem CID 93302356) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (2S)-2-(4-methylsulfonylphenyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(4-methylsulfonylphenyl)morpholine
PubChem CID93302356
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(2S)-2-(4-methylsulfonylphenyl)morpholine
SMILESCS(=O)(=O)c1ccc([C@H]2CNCCO2)cc1
InChIInChI=1S/C11H15NO3S/c1-16(13,14)10-4-2-9(3-5-10)11-8-12-6-7-15-11/h2-5,11-12H,6-8H2,1H3/t11-/m1/s1
InChIKeyXTWWKBPFMXUQJP-LLVKDONJSA-N
XLogP0.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopropylsulfonylphenyl)morpholine
CID 117421824
2-[4-[5-(3-methylsulfonylphenyl)pyrazol-1-yl]phenyl]morpholine
CID 174711206
(4-methylsulfonylphenyl)-morpholin-2-ylmethanone
CID 116919550
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
azane;2-phenylmorpholine
CID 174664757
2-(2,3-difluoro-5-methylsulfonylphenyl)morpholine
CID 117444045
2-(4-piperidin-4-ylphenyl)morpholine
CID 117368630
2-[4-(trifluoromethyl)phenyl]morpholine
CID 3756313
2-(3,4-dimethylphenyl)morpholine
CID 43169342
methyl-(4-morpholin-2-ylphenoxy)phosphinic acid
CID 90023533
ethyl 4-[(2S)-morpholin-2-yl]benzoate
CID 167721608

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylsulfonylphenyl)morpholine?
The IUPAC name of (2S)-2-(4-methylsulfonylphenyl)morpholine (CID 93302356) is (2S)-2-(4-methylsulfonylphenyl)morpholine.
What is the SMILES notation for (2S)-2-(4-methylsulfonylphenyl)morpholine?
The canonical SMILES for (2S)-2-(4-methylsulfonylphenyl)morpholine is CS(=O)(=O)c1ccc([C@H]2CNCCO2)cc1.
What is the InChIKey of (2S)-2-(4-methylsulfonylphenyl)morpholine?
The InChIKey is XTWWKBPFMXUQJP-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-16(13,14)10-4-2-9(3-5-10)11-8-12-6-7-15-11/h2-5,11-12H,6-8H2,1H3/t11-/m1/s1.
What are the key properties of (2S)-2-(4-methylsulfonylphenyl)morpholine?
(2S)-2-(4-methylsulfonylphenyl)morpholine has a molecular weight of 241.31 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylsulfonylphenyl)morpholine is sourced from PubChem (CID 93302356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).