(2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol

C13H15NO3S — CID 114243943

IUPAC(2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol
SMILESNC[C@@H](O)CS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H15NO3S/c14-8-12(15)9-18(16,17)13-6-5-10-3-1-2-4-11(10)7-13/h1-7,12,15H,8-9,14H2/t12-/m1/s1
InChIKeyXUDQAUICMDOPNB-GFCCVEGCSA-N
MW265.33 g/mol
LogP0.93
Rot. Bonds4

About (2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol

(2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol (PubChem CID 114243943) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is (2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol
PubChem CID114243943
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name(2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol
SMILESNC[C@@H](O)CS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H15NO3S/c14-8-12(15)9-18(16,17)13-6-5-10-3-1-2-4-11(10)7-13/h1-7,12,15H,8-9,14H2/t12-/m1/s1
InChIKeyXUDQAUICMDOPNB-GFCCVEGCSA-N
XLogP0.93
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-3-amino-2-hydroxypropyl]-hydroxy-oxophosphanium;naphthalene-2-sulfonic acid
CID 10154700
2-(2,2-dimethoxyethylsulfonyl)naphthalene
CID 66223688
(3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol
CID 69383125
2-[2-(bromomethyl)-3,3-dimethylbutyl]sulfonylnaphthalene
CID 65017357
(3S)-4-naphthalen-2-ylsulfonyl-3-phenylbutanoic acid
CID 124637863
methyl (2R)-4-methyl-2-(naphthalen-2-ylsulfonylmethyl)pentanoate
CID 58256208
1-[(2S)-1-naphthalen-2-ylsulfonylpropan-2-yl]azepan-1-ium
CID 7263273
3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol
CID 64899704
naphthalene-2-sulfonic acid
CID 8420
3-naphthalen-2-ylsulfonylpropane-1-sulfonamide
CID 56801860
(2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride
CID 70154426
CID 87246277
CID 87246277

Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol?
The IUPAC name of (2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol (CID 114243943) is (2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol.
What is the SMILES notation for (2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol?
The canonical SMILES for (2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol is NC[C@@H](O)CS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol?
The InChIKey is XUDQAUICMDOPNB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15NO3S/c14-8-12(15)9-18(16,17)13-6-5-10-3-1-2-4-11(10)7-13/h1-7,12,15H,8-9,14H2/t12-/m1/s1.
What are the key properties of (2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol?
(2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol has a molecular weight of 265.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-3-naphthalen-2-ylsulfonylpropan-2-ol is sourced from PubChem (CID 114243943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).