1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-1-amine

C10H13Cl2NO2S — CID 115848173

IUPAC1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2NO2S/c1-16(14,15)6-5-9(13)10-7(11)3-2-4-8(10)12/h2-4,9H,5-6,13H2,1H3
InChIKeyUFQHZPNSSSPNDZ-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.43
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-1-amine

1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-1-amine (PubChem CID 115848173) has the molecular formula C10H13Cl2NO2S and a molecular weight of 282.19 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-1-amine
PubChem CID115848173
Molecular FormulaC10H13Cl2NO2S
Molecular Weight282.19 g/mol
Exact Mass281.00
IUPAC Name1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2NO2S/c1-16(14,15)6-5-9(13)10-7(11)3-2-4-8(10)12/h2-4,9H,5-6,13H2,1H3
InChIKeyUFQHZPNSSSPNDZ-UHFFFAOYSA-N
XLogP2.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-1-amine (CID 115848173) is 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-1-amine is CS(=O)(=O)CCC(N)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-1-amine?
The InChIKey is UFQHZPNSSSPNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2S/c1-16(14,15)6-5-9(13)10-7(11)3-2-4-8(10)12/h2-4,9H,5-6,13H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-1-amine?
1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-1-amine has a molecular weight of 282.19 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115848173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).