2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine

C12H19NO2S — CID 68807261

IUPAC2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine
SMILESC[C@@H](CS(=O)(=O)C(C)(C)N)c1ccccc1
InChIInChI=1S/C12H19NO2S/c1-10(11-7-5-4-6-8-11)9-16(14,15)12(2,3)13/h4-8,10H,9,13H2,1-3H3/t10-/m0/s1
InChIKeySKKRPMJOPHBJGD-JTQLQIEISA-N
MW241.36 g/mol
LogP1.90
Rot. Bonds4

About 2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine

2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine (PubChem CID 68807261) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine.

Molecular Properties

Compound Name2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine
PubChem CID68807261
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine
SMILESC[C@@H](CS(=O)(=O)C(C)(C)N)c1ccccc1
InChIInChI=1S/C12H19NO2S/c1-10(11-7-5-4-6-8-11)9-16(14,15)12(2,3)13/h4-8,10H,9,13H2,1-3H3/t10-/m0/s1
InChIKeySKKRPMJOPHBJGD-JTQLQIEISA-N
XLogP1.90
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
(2S)-2-phenylpropane-1-sulfonyl chloride
CID 98112212
2-phenylpropane-1-sulfonic acid
CID 18989058
N'-hydroxy-2-methyl-2-(2-phenylpropylsulfonylamino)propanimidamide
CID 80686938
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 80686410
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686091
(4-methyl-4-methylsulfonylpentan-2-yl)benzene
CID 134582598
N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686473
1,1,1-trifluoro-4-phenylpentane-2-sulfonamide
CID 114827711
2-(2-phenylpropylsulfonyl)acetic acid
CID 141376765
(1-bromo-3-tert-butylsulfonylpropan-2-yl)benzene
CID 65017209

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine?
The IUPAC name of 2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine (CID 68807261) is 2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine.
What is the SMILES notation for 2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine?
The canonical SMILES for 2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine is C[C@@H](CS(=O)(=O)C(C)(C)N)c1ccccc1.
What is the InChIKey of 2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine?
The InChIKey is SKKRPMJOPHBJGD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NO2S/c1-10(11-7-5-4-6-8-11)9-16(14,15)12(2,3)13/h4-8,10H,9,13H2,1-3H3/t10-/m0/s1.
What are the key properties of 2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine?
2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine has a molecular weight of 241.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine is sourced from PubChem (CID 68807261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).