1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine

C10H14ClNO2S — CID 102550992

IUPAC1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine
SMILESCC(C(N)c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C10H14ClNO2S/c1-7(15(2,13)14)10(12)8-4-3-5-9(11)6-8/h3-7,10H,12H2,1-2H3
InChIKeyPXXNSOTWTKWDKJ-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.77
Rot. Bonds3

About 1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine

1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine (PubChem CID 102550992) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine
PubChem CID102550992
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine
SMILESCC(C(N)c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C10H14ClNO2S/c1-7(15(2,13)14)10(12)8-4-3-5-9(11)6-8/h3-7,10H,12H2,1-2H3
InChIKeyPXXNSOTWTKWDKJ-UHFFFAOYSA-N
XLogP1.77
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-methylsulfonylpropan-1-ol
CID 102550104
[1-(3-chlorophenyl)-2-methylsulfonylpropyl]hydrazine
CID 105289216
(3-chlorophenyl)-(3-methylsulfonylphenyl)methanamine
CID 115811597
1-(3-chlorophenyl)-2-[methyl(3-methylsulfonylbutan-2-yl)amino]ethanol
CID 111488070
(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 2762309
N-[1-(3-chlorophenyl)ethyl]-N-methylsulfamoyl fluoride
CID 154879465
[(2S)-2-(3-chlorophenyl)propyl] methanesulfonate
CID 129412331
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
1-chloro-3-(2-chloro-3-methylsulfonylbutyl)benzene
CID 104522148
4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 61106355
(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine (CID 102550992) is 1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine is CC(C(N)c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine?
The InChIKey is PXXNSOTWTKWDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-7(15(2,13)14)10(12)8-4-3-5-9(11)6-8/h3-7,10H,12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine?
1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine has a molecular weight of 247.75 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 102550992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).