N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide

C14H21NO4S — CID 63261000

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NC(CO)Cc1ccccc1
InChIInChI=1S/C14H21NO4S/c16-10-13(9-12-5-2-1-3-6-12)15-20(17,18)11-14-7-4-8-19-14/h1-3,5-6,13-16H,4,7-11H2
InChIKeyBZNFDTHUZHAIHK-UHFFFAOYSA-N
MW299.39 g/mol
LogP0.69
Rot. Bonds7

About N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide

N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63261000) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63261000
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NC(CO)Cc1ccccc1
InChIInChI=1S/C14H21NO4S/c16-10-13(9-12-5-2-1-3-6-12)15-20(17,18)11-14-7-4-8-19-14/h1-3,5-6,13-16H,4,7-11H2
InChIKeyBZNFDTHUZHAIHK-UHFFFAOYSA-N
XLogP0.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid
CID 63247069
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(oxolan-2-yl)propanamide
CID 107861226
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclohexanesulfonamide
CID 102675549
(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 78927442
4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid
CID 120547201
4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186
3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid
CID 63261722
[(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene
CID 104923639
N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide
CID 75387057
(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol
CID 102675491
2-benzyl-3-(oxolan-2-yl)propanoic acid
CID 44719068
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide
CID 102675573

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide (CID 63261000) is N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide is O=S(=O)(CC1CCCO1)NC(CO)Cc1ccccc1.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is BZNFDTHUZHAIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c16-10-13(9-12-5-2-1-3-6-12)15-20(17,18)11-14-7-4-8-19-14/h1-3,5-6,13-16H,4,7-11H2.
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63261000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).