(2R)-N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine

C14H19Cl2NO2S — CID 97334141

IUPAC(2R)-N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine
SMILESC[C@H](CS(C)(=O)=O)NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2S/c1-9(8-20(2,18)19)17-7-10-5-13(10)12-4-3-11(15)6-14(12)16/h3-4,6,9-10,13,17H,5,7-8H2,1-2H3/t9-,10-,13+/m1/s1
InChIKeyZQYYWAWWLLPPAV-BREBYQMCSA-N
MW336.28 g/mol
LogP3.12
Rot. Bonds6

About (2R)-N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine

(2R)-N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine (PubChem CID 97334141) has the molecular formula C14H19Cl2NO2S and a molecular weight of 336.28 g/mol. Its IUPAC name is (2R)-N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine
PubChem CID97334141
Molecular FormulaC14H19Cl2NO2S
Molecular Weight336.28 g/mol
Exact Mass335.05
IUPAC Name(2R)-N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine
SMILESC[C@H](CS(C)(=O)=O)NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2S/c1-9(8-20(2,18)19)17-7-10-5-13(10)12-4-3-11(15)6-14(12)16/h3-4,6,9-10,13,17H,5,7-8H2,1-2H3/t9-,10-,13+/m1/s1
InChIKeyZQYYWAWWLLPPAV-BREBYQMCSA-N
XLogP3.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of (2R)-N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine (CID 97334141) is (2R)-N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for (2R)-N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for (2R)-N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine is C[C@H](CS(C)(=O)=O)NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of (2R)-N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is ZQYYWAWWLLPPAV-BREBYQMCSA-N. The full InChI is InChI=1S/C14H19Cl2NO2S/c1-9(8-20(2,18)19)17-7-10-5-13(10)12-4-3-11(15)6-14(12)16/h3-4,6,9-10,13,17H,5,7-8H2,1-2H3/t9-,10-,13+/m1/s1.
What are the key properties of (2R)-N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine?
(2R)-N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 336.28 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 97334141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).