(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol

C12H20N2O3S — CID 102675491

IUPAC(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol
SMILESCC(C)NS(=O)(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C12H20N2O3S/c1-10(2)13-18(16,17)14-12(9-15)8-11-6-4-3-5-7-11/h3-7,10,12-15H,8-9H2,1-2H3/t12-/m1/s1
InChIKeySDWGIRYEBSGHAC-GFCCVEGCSA-N
MW272.37 g/mol
LogP0.42
Rot. Bonds7

About (2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol

(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol (PubChem CID 102675491) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is (2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol
PubChem CID102675491
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol
SMILESCC(C)NS(=O)(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C12H20N2O3S/c1-10(2)13-18(16,17)14-12(9-15)8-11-6-4-3-5-7-11/h3-7,10,12-15H,8-9H2,1-2H3/t12-/m1/s1
InChIKeySDWGIRYEBSGHAC-GFCCVEGCSA-N
XLogP0.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene
CID 104923639
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[(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene
CID 95040127
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
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3-[(1-hydroxy-3-phenylpropan-2-yl)sulfamoyl]propanoic acid
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N-(1-hydroxy-3-phenylpropan-2-yl)-1-(2-methylphenyl)methanesulfonamide
CID 75387057
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 102675582
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CID 104983267

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol?
The IUPAC name of (2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol (CID 102675491) is (2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol.
What is the SMILES notation for (2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol?
The canonical SMILES for (2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol is CC(C)NS(=O)(=O)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of (2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol?
The InChIKey is SDWGIRYEBSGHAC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10(2)13-18(16,17)14-12(9-15)8-11-6-4-3-5-7-11/h3-7,10,12-15H,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol?
(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol has a molecular weight of 272.37 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol is sourced from PubChem (CID 102675491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).