(2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-1-methylsulfonylpropan-2-amine

C13H20ClNO2S — CID 124559501

IUPAC(2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-1-methylsulfonylpropan-2-amine
SMILESCCN(Cc1ccccc1Cl)[C@@H](C)CS(C)(=O)=O
InChIInChI=1S/C13H20ClNO2S/c1-4-15(11(2)10-18(3,16)17)9-12-7-5-6-8-13(12)14/h5-8,11H,4,9-10H2,1-3H3/t11-/m0/s1
InChIKeyWRNYJNGODPEUPE-NSHDSACASA-N
MW289.83 g/mol
LogP2.60
Rot. Bonds6

About (2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-1-methylsulfonylpropan-2-amine

(2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-1-methylsulfonylpropan-2-amine (PubChem CID 124559501) has the molecular formula C13H20ClNO2S and a molecular weight of 289.83 g/mol. Its IUPAC name is (2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-1-methylsulfonylpropan-2-amine
PubChem CID124559501
Molecular FormulaC13H20ClNO2S
Molecular Weight289.83 g/mol
Exact Mass289.09
IUPAC Name(2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-1-methylsulfonylpropan-2-amine
SMILESCCN(Cc1ccccc1Cl)[C@@H](C)CS(C)(=O)=O
InChIInChI=1S/C13H20ClNO2S/c1-4-15(11(2)10-18(3,16)17)9-12-7-5-6-8-13(12)14/h5-8,11H,4,9-10H2,1-3H3/t11-/m0/s1
InChIKeyWRNYJNGODPEUPE-NSHDSACASA-N
XLogP2.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-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

Related Compounds

1-chloro-N-[(2-chlorophenyl)methyl]-N-ethylmethanesulfonamide
CID 63666395
3-[2-(2-chlorophenyl)ethyl]-1-ethyl-1-[(2S)-1-methylsulfonylpropan-2-yl]urea
CID 95767545
2-[(2-chlorophenyl)methyl-propan-2-ylamino]acetonitrile
CID 62047660
2-[(2-chlorophenyl)methyl-methylsulfonylamino]propanoic acid
CID 23645754
4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide
CID 61112191
2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
CID 95625333
3-[(2,3-dichlorophenyl)methyl-ethylamino]butanoic acid
CID 65060850
2-[(2-chlorophenyl)methyl-(dimethylsulfamoyl)amino]propanoic acid
CID 23645759
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide
CID 100625817
2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629331
2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 77144451

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-1-methylsulfonylpropan-2-amine?
The IUPAC name of (2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-1-methylsulfonylpropan-2-amine (CID 124559501) is (2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for (2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-1-methylsulfonylpropan-2-amine?
The canonical SMILES for (2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-1-methylsulfonylpropan-2-amine is CCN(Cc1ccccc1Cl)[C@@H](C)CS(C)(=O)=O.
What is the InChIKey of (2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-1-methylsulfonylpropan-2-amine?
The InChIKey is WRNYJNGODPEUPE-NSHDSACASA-N. The full InChI is InChI=1S/C13H20ClNO2S/c1-4-15(11(2)10-18(3,16)17)9-12-7-5-6-8-13(12)14/h5-8,11H,4,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-1-methylsulfonylpropan-2-amine?
(2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-1-methylsulfonylpropan-2-amine has a molecular weight of 289.83 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-chlorophenyl)methyl]-N-ethyl-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 124559501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).