(1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine

C9H12ClNO2S — CID 94451404

IUPAC(1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine
SMILESCS(=O)(=O)C[C@@H](N)c1ccccc1Cl
InChIInChI=1S/C9H12ClNO2S/c1-14(12,13)6-9(11)7-4-2-3-5-8(7)10/h2-5,9H,6,11H2,1H3/t9-/m1/s1
InChIKeyTWAVZOOBLPSJGC-SECBINFHSA-N
MW233.72 g/mol
LogP1.38
Rot. Bonds3

About (1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine

(1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine (PubChem CID 94451404) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine
PubChem CID94451404
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name(1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine
SMILESCS(=O)(=O)C[C@@H](N)c1ccccc1Cl
InChIInChI=1S/C9H12ClNO2S/c1-14(12,13)6-9(11)7-4-2-3-5-8(7)10/h2-5,9H,6,11H2,1H3/t9-/m1/s1
InChIKeyTWAVZOOBLPSJGC-SECBINFHSA-N
XLogP1.38
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
4-amino-4-(2-chlorophenyl)butan-2-one
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1-(2,3-dichlorophenyl)-4-methylsulfonylbutan-1-amine
CID 115820999
N-[2-amino-2-(2-chlorophenyl)ethyl]methanesulfinamide
CID 130349763
1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644628
(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride
CID 71755470
2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol
CID 79449397
2-(1-methylsulfonylpropan-2-yl)aniline
CID 115028443
1-(2-chlorophenyl)but-3-en-1-amine
CID 15322297
2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102840919
1-(2-chlorophenyl)-2-(methoxymethoxy)ethanamine
CID 89348696
1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-2-ol
CID 115601600

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine?
The IUPAC name of (1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine (CID 94451404) is (1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine is CS(=O)(=O)C[C@@H](N)c1ccccc1Cl.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine?
The InChIKey is TWAVZOOBLPSJGC-SECBINFHSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-14(12,13)6-9(11)7-4-2-3-5-8(7)10/h2-5,9H,6,11H2,1H3/t9-/m1/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine?
(1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine has a molecular weight of 233.72 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine is sourced from PubChem (CID 94451404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).