N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine

C15H25N3S — CID 106445504

IUPACN-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)C1CSCCN1C
InChIInChI=1S/C15H25N3S/c1-3-6-17-14(11-13-4-7-16-8-5-13)15-12-19-10-9-18(15)2/h4-5,7-8,14-15,17H,3,6,9-12H2,1-2H3
InChIKeySSJSBUMUFSVEFM-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.04
Rot. Bonds6

About N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine

N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine (PubChem CID 106445504) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
PubChem CID106445504
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC NameN-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)C1CSCCN1C
InChIInChI=1S/C15H25N3S/c1-3-6-17-14(11-13-4-7-16-8-5-13)15-12-19-10-9-18(15)2/h4-5,7-8,14-15,17H,3,6,9-12H2,1-2H3
InChIKeySSJSBUMUFSVEFM-UHFFFAOYSA-N
XLogP2.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 106445474
N-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 79666373
N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445416
N-[2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445518
N-[1-(4-methylthiomorpholin-3-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 106445389
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445375
N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445493
N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445370
2-(3,4-dichlorophenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445261
[2-(4-ethylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446480
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445245
[1-(4-methylthiomorpholin-3-yl)-2-phenylethyl]hydrazine
CID 106446350

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine (CID 106445504) is N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine is CCCNC(Cc1ccncc1)C1CSCCN1C.
What is the InChIKey of N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The InChIKey is SSJSBUMUFSVEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-3-6-17-14(11-13-4-7-16-8-5-13)15-12-19-10-9-18(15)2/h4-5,7-8,14-15,17H,3,6,9-12H2,1-2H3.
What are the key properties of N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine?
N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 106445504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).