3-(aminomethyl)-1-(3-methylsulfonylpropyl)quinolin-2-one

C14H18N2O3S — CID 63196079

IUPAC3-(aminomethyl)-1-(3-methylsulfonylpropyl)quinolin-2-one
SMILESCS(=O)(=O)CCCn1c(=O)c(CN)cc2ccccc21
InChIInChI=1S/C14H18N2O3S/c1-20(18,19)8-4-7-16-13-6-3-2-5-11(13)9-12(10-15)14(16)17/h2-3,5-6,9H,4,7-8,10,15H2,1H3
InChIKeyUBZIUNLBLAYSME-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.89
Rot. Bonds5

About 3-(aminomethyl)-1-(3-methylsulfonylpropyl)quinolin-2-one

3-(aminomethyl)-1-(3-methylsulfonylpropyl)quinolin-2-one (PubChem CID 63196079) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(3-methylsulfonylpropyl)quinolin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(3-methylsulfonylpropyl)quinolin-2-one
PubChem CID63196079
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-(aminomethyl)-1-(3-methylsulfonylpropyl)quinolin-2-one
SMILESCS(=O)(=O)CCCn1c(=O)c(CN)cc2ccccc21
InChIInChI=1S/C14H18N2O3S/c1-20(18,19)8-4-7-16-13-6-3-2-5-11(13)9-12(10-15)14(16)17/h2-3,5-6,9H,4,7-8,10,15H2,1H3
InChIKeyUBZIUNLBLAYSME-UHFFFAOYSA-N
XLogP0.89
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(3-methylsulfonylpropyl)quinolin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(3-methylsulfonylpropyl)quinolin-2-one (CID 63196079) is 3-(aminomethyl)-1-(3-methylsulfonylpropyl)quinolin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(3-methylsulfonylpropyl)quinolin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(3-methylsulfonylpropyl)quinolin-2-one is CS(=O)(=O)CCCn1c(=O)c(CN)cc2ccccc21.
What is the InChIKey of 3-(aminomethyl)-1-(3-methylsulfonylpropyl)quinolin-2-one?
The InChIKey is UBZIUNLBLAYSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-20(18,19)8-4-7-16-13-6-3-2-5-11(13)9-12(10-15)14(16)17/h2-3,5-6,9H,4,7-8,10,15H2,1H3.
What are the key properties of 3-(aminomethyl)-1-(3-methylsulfonylpropyl)quinolin-2-one?
3-(aminomethyl)-1-(3-methylsulfonylpropyl)quinolin-2-one has a molecular weight of 294.38 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(3-methylsulfonylpropyl)quinolin-2-one is sourced from PubChem (CID 63196079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).