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

C15H20N2O3S — CID 65096820

IUPAC3-(aminomethyl)-1-(3-ethylsulfonylpropyl)quinolin-2-one
SMILESCCS(=O)(=O)CCCn1c(=O)c(CN)cc2ccccc21
InChIInChI=1S/C15H20N2O3S/c1-2-21(19,20)9-5-8-17-14-7-4-3-6-12(14)10-13(11-16)15(17)18/h3-4,6-7,10H,2,5,8-9,11,16H2,1H3
InChIKeyBVDTXPKNXHSGFI-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.28
Rot. Bonds6

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

3-(aminomethyl)-1-(3-ethylsulfonylpropyl)quinolin-2-one (PubChem CID 65096820) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(3-ethylsulfonylpropyl)quinolin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(3-ethylsulfonylpropyl)quinolin-2-one
PubChem CID65096820
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-(aminomethyl)-1-(3-ethylsulfonylpropyl)quinolin-2-one
SMILESCCS(=O)(=O)CCCn1c(=O)c(CN)cc2ccccc21
InChIInChI=1S/C15H20N2O3S/c1-2-21(19,20)9-5-8-17-14-7-4-3-6-12(14)10-13(11-16)15(17)18/h3-4,6-7,10H,2,5,8-9,11,16H2,1H3
InChIKeyBVDTXPKNXHSGFI-UHFFFAOYSA-N
XLogP1.28
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.28
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-ethylsulfonylpropyl)quinolin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(3-ethylsulfonylpropyl)quinolin-2-one (CID 65096820) is 3-(aminomethyl)-1-(3-ethylsulfonylpropyl)quinolin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(3-ethylsulfonylpropyl)quinolin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(3-ethylsulfonylpropyl)quinolin-2-one is CCS(=O)(=O)CCCn1c(=O)c(CN)cc2ccccc21.
What is the InChIKey of 3-(aminomethyl)-1-(3-ethylsulfonylpropyl)quinolin-2-one?
The InChIKey is BVDTXPKNXHSGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-2-21(19,20)9-5-8-17-14-7-4-3-6-12(14)10-13(11-16)15(17)18/h3-4,6-7,10H,2,5,8-9,11,16H2,1H3.
What are the key properties of 3-(aminomethyl)-1-(3-ethylsulfonylpropyl)quinolin-2-one?
3-(aminomethyl)-1-(3-ethylsulfonylpropyl)quinolin-2-one has a molecular weight of 308.40 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(3-ethylsulfonylpropyl)quinolin-2-one is sourced from PubChem (CID 65096820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).