N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide

C13H20N2O4S — CID 102675573

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide
SMILESO=S(=O)(N[C@H](CO)Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C13H20N2O4S/c16-11-13(10-12-4-2-1-3-5-12)14-20(17,18)15-6-8-19-9-7-15/h1-5,13-14,16H,6-11H2/t13-/m0/s1
InChIKeyCLODNMJJHSKSFF-ZDUSSCGKSA-N
MW300.38 g/mol
LogP-0.24
Rot. Bonds6

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide (PubChem CID 102675573) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide
PubChem CID102675573
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide
SMILESO=S(=O)(N[C@H](CO)Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C13H20N2O4S/c16-11-13(10-12-4-2-1-3-5-12)14-20(17,18)15-6-8-19-9-7-15/h1-5,13-14,16H,6-11H2/t13-/m0/s1
InChIKeyCLODNMJJHSKSFF-ZDUSSCGKSA-N
XLogP-0.24
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide
CID 114296967
[(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene
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(2R)-2-(2-morpholin-4-ylethylamino)-3-phenylpropan-1-ol
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N-[2,6-di(propan-2-yl)phenyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide
CID 19874945
(2R)-2-morpholin-4-yl-3-phenylpropan-1-ol
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N-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide
CID 11109622
(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol
CID 102675491
(2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 122069411
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
N-(2-hydroxy-2-phenylethyl)morpholine-4-sulfonamide
CID 43502480
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide
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N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide
CID 115754877

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide (CID 102675573) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide is O=S(=O)(N[C@H](CO)Cc1ccccc1)N1CCOCC1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide?
The InChIKey is CLODNMJJHSKSFF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O4S/c16-11-13(10-12-4-2-1-3-5-12)14-20(17,18)15-6-8-19-9-7-15/h1-5,13-14,16H,6-11H2/t13-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide is sourced from PubChem (CID 102675573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).