(3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride

C11H16ClNO3S — CID 171192994

IUPAC(3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride
SMILESCS(=O)(=O)c1ccc([C@H]2COCCN2)cc1.Cl
InChIInChI=1S/C11H15NO3S.ClH/c1-16(13,14)10-4-2-9(3-5-10)11-8-15-7-6-12-11;/h2-5,11-12H,6-8H2,1H3;1H/t11-;/m1./s1
InChIKeyUEWCVCLJDBNYEV-RFVHGSKJSA-N
MW277.77 g/mol
LogP1.17
Rot. Bonds2

About (3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride

(3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride (PubChem CID 171192994) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is (3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride
PubChem CID171192994
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name(3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride
SMILESCS(=O)(=O)c1ccc([C@H]2COCCN2)cc1.Cl
InChIInChI=1S/C11H15NO3S.ClH/c1-16(13,14)10-4-2-9(3-5-10)11-8-15-7-6-12-11;/h2-5,11-12H,6-8H2,1H3;1H/t11-;/m1./s1
InChIKeyUEWCVCLJDBNYEV-RFVHGSKJSA-N
XLogP1.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
(2R)-2-(4-methylsulfonylphenyl)piperidine;hydrochloride
CID 171195302
4-[(3R)-morpholin-3-yl]benzenethiol
CID 130654195
4-morpholin-3-ylbenzoic acid
CID 83439810
(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
CID 171193047
1-(4-methylsulfonylphenyl)-2-morpholin-3-ylethanol
CID 81465901
(4R)-4-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184265
(3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine
CID 95451553
3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride
CID 154810211
(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine
CID 118888705
3-(3-methyl-4-nitrophenyl)morpholine
CID 130041687
3-(4-methylsulfonylphenyl)-1,4-thiazepane 1,1-dioxide
CID 66217064

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride?
The IUPAC name of (3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride (CID 171192994) is (3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride.
What is the SMILES notation for (3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride?
The canonical SMILES for (3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride is CS(=O)(=O)c1ccc([C@H]2COCCN2)cc1.Cl.
What is the InChIKey of (3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride?
The InChIKey is UEWCVCLJDBNYEV-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H15NO3S.ClH/c1-16(13,14)10-4-2-9(3-5-10)11-8-15-7-6-12-11;/h2-5,11-12H,6-8H2,1H3;1H/t11-;/m1./s1.
What are the key properties of (3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride?
(3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride has a molecular weight of 277.77 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride is sourced from PubChem (CID 171192994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).