N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine

C14H27N5S — CID 106445341

IUPACN-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1CCC)C1CSCCN1C
InChIInChI=1S/C14H27N5S/c1-4-6-15-14(13-11-20-9-8-18(13)3)12-10-16-17-19(12)7-5-2/h10,13-15H,4-9,11H2,1-3H3
InChIKeySIYZNQWTHTTXLE-UHFFFAOYSA-N
MW297.47 g/mol
LogP1.78
Rot. Bonds7

About N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine

N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 106445341) has the molecular formula C14H27N5S and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
PubChem CID106445341
Molecular FormulaC14H27N5S
Molecular Weight297.47 g/mol
Exact Mass297.20
IUPAC NameN-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1CCC)C1CSCCN1C
InChIInChI=1S/C14H27N5S/c1-4-6-15-14(13-11-20-9-8-18(13)3)12-10-16-17-19(12)7-5-2/h10,13-15H,4-9,11H2,1-3H3
InChIKeySIYZNQWTHTTXLE-UHFFFAOYSA-N
XLogP1.78
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 106445421
N-[(4-methylthiomorpholin-3-yl)-pyrazin-2-ylmethyl]propan-1-amine
CID 106445473
N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687454
N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687200
N-[(1,4-dimethylpiperazin-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688546
N-[(4-methylthiomorpholin-3-yl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 106445379
[(4-methylthiomorpholin-3-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 106446511
[1,4-dithian-2-yl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105249262
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
N-[(3-chloro-4-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 107560838
N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445479
N-[(2-fluoro-3-methoxyphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445454

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine (CID 106445341) is N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnnn1CCC)C1CSCCN1C.
What is the InChIKey of N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is SIYZNQWTHTTXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5S/c1-4-6-15-14(13-11-20-9-8-18(13)3)12-10-16-17-19(12)7-5-2/h10,13-15H,4-9,11H2,1-3H3.
What are the key properties of N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 106445341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).