[5-(2-chloro-6-methylsulfonylphenyl)-1-methylpyrrolidin-3-yl]methanamine

C13H19ClN2O2S — CID 117487635

IUPAC[5-(2-chloro-6-methylsulfonylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1c(Cl)cccc1S(C)(=O)=O
InChIInChI=1S/C13H19ClN2O2S/c1-16-8-9(7-15)6-11(16)13-10(14)4-3-5-12(13)19(2,17)18/h3-5,9,11H,6-8,15H2,1-2H3
InChIKeyFPXIYAZZJYCGEY-UHFFFAOYSA-N
MW302.83 g/mol
LogP1.70
Rot. Bonds3

About [5-(2-chloro-6-methylsulfonylphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(2-chloro-6-methylsulfonylphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117487635) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is [5-(2-chloro-6-methylsulfonylphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-chloro-6-methylsulfonylphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117487635
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name[5-(2-chloro-6-methylsulfonylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1c(Cl)cccc1S(C)(=O)=O
InChIInChI=1S/C13H19ClN2O2S/c1-16-8-9(7-15)6-11(16)13-10(14)4-3-5-12(13)19(2,17)18/h3-5,9,11H,6-8,15H2,1-2H3
InChIKeyFPXIYAZZJYCGEY-UHFFFAOYSA-N
XLogP1.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-6-methylsulfonylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(2-chloro-6-methylsulfonylphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117487635) is [5-(2-chloro-6-methylsulfonylphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(2-chloro-6-methylsulfonylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(2-chloro-6-methylsulfonylphenyl)-1-methylpyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1c(Cl)cccc1S(C)(=O)=O.
What is the InChIKey of [5-(2-chloro-6-methylsulfonylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is FPXIYAZZJYCGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-16-8-9(7-15)6-11(16)13-10(14)4-3-5-12(13)19(2,17)18/h3-5,9,11H,6-8,15H2,1-2H3.
What are the key properties of [5-(2-chloro-6-methylsulfonylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(2-chloro-6-methylsulfonylphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 302.83 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-6-methylsulfonylphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117487635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).