N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine

C17H23N3S — CID 106445061

IUPACN-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine
SMILESCCNC(c1cnc2ccccc2c1)C1CSCCN1C
InChIInChI=1S/C17H23N3S/c1-3-18-17(16-12-21-9-8-20(16)2)14-10-13-6-4-5-7-15(13)19-11-14/h4-7,10-11,16-18H,3,8-9,12H2,1-2H3
InChIKeyYCRIALXSNRAVMI-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.93
Rot. Bonds4

About N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine

N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine (PubChem CID 106445061) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine
PubChem CID106445061
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine
SMILESCCNC(c1cnc2ccccc2c1)C1CSCCN1C
InChIInChI=1S/C17H23N3S/c1-3-18-17(16-12-21-9-8-20(16)2)14-10-13-6-4-5-7-15(13)19-11-14/h4-7,10-11,16-18H,3,8-9,12H2,1-2H3
InChIKeyYCRIALXSNRAVMI-UHFFFAOYSA-N
XLogP2.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1,4-oxathian-2-yl(quinolin-3-yl)methyl]ethanamine
CID 79963246
N-[isoquinolin-5-yl-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106445253
N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106445193
N-[(2,2-dimethylcyclopentyl)-quinolin-3-ylmethyl]ethanamine
CID 107187856
[quinolin-3-yl(thiolan-3-yl)methyl]hydrazine
CID 105286981
N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 106445421
3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol
CID 91791309
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106444980
N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine
CID 106444807
N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine
CID 115797726
N-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine
CID 60923858
N-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine
CID 105097613

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine (CID 106445061) is N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine is CCNC(c1cnc2ccccc2c1)C1CSCCN1C.
What is the InChIKey of N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine?
The InChIKey is YCRIALXSNRAVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-3-18-17(16-12-21-9-8-20(16)2)14-10-13-6-4-5-7-15(13)19-11-14/h4-7,10-11,16-18H,3,8-9,12H2,1-2H3.
What are the key properties of N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine?
N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine has a molecular weight of 301.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine is sourced from PubChem (CID 106445061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).