(2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine

C18H24N2O2S — CID 70047843

IUPAC(2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine
SMILESC[C@@](N)(Cc1ccccc1)S(=O)(=O)[C@](C)(N)Cc1ccccc1
InChIInChI=1S/C18H24N2O2S/c1-17(19,13-15-9-5-3-6-10-15)23(21,22)18(2,20)14-16-11-7-4-8-12-16/h3-12H,13-14,19-20H2,1-2H3/t17-,18-/m0/s1
InChIKeyRHGHWYXUUOZCCP-ROUUACIJSA-N
MW332.47 g/mol
LogP2.24
Rot. Bonds6

About (2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine

(2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine (PubChem CID 70047843) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine
PubChem CID70047843
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name(2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine
SMILESC[C@@](N)(Cc1ccccc1)S(=O)(=O)[C@](C)(N)Cc1ccccc1
InChIInChI=1S/C18H24N2O2S/c1-17(19,13-15-9-5-3-6-10-15)23(21,22)18(2,20)14-16-11-7-4-8-12-16/h3-12H,13-14,19-20H2,1-2H3/t17-,18-/m0/s1
InChIKeyRHGHWYXUUOZCCP-ROUUACIJSA-N
XLogP2.24
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-phenylpropan-2-amine;sulfuric acid
CID 174984746
2-amino-1-phenylpropan-2-ol;sulfuric acid
CID 69452092
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
2-amino-1-phenylpropan-2-ol;sulfo hydrogen sulfate
CID 69452093
5-ethylsulfonyl-2-methyl-1-phenylpentan-2-amine
CID 65098048
[2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene
CID 141041544
(2,2-dimethyl-3-phenylpropyl) sulfamate
CID 122528733
(2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate
CID 173057609
(2S)-2,3-dimethyl-1-phenylbutan-2-amine
CID 93299297
1-amino-1-benzylsulfonylethanol
CID 154095200
(2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one
CID 177194439
N-(ethylsulfamoyl)-2-methyl-1-phenylpropan-2-amine
CID 110628381

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine?
The IUPAC name of (2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine (CID 70047843) is (2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine.
What is the SMILES notation for (2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine?
The canonical SMILES for (2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine is C[C@@](N)(Cc1ccccc1)S(=O)(=O)[C@](C)(N)Cc1ccccc1.
What is the InChIKey of (2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine?
The InChIKey is RHGHWYXUUOZCCP-ROUUACIJSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-17(19,13-15-9-5-3-6-10-15)23(21,22)18(2,20)14-16-11-7-4-8-12-16/h3-12H,13-14,19-20H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine?
(2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine has a molecular weight of 332.47 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine is sourced from PubChem (CID 70047843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).