N-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine

C13H21N3OS — CID 105006718

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine
SMILESCOc1ccc(CNCCN2CCSCC2)cn1
InChIInChI=1S/C13H21N3OS/c1-17-13-3-2-12(11-15-13)10-14-4-5-16-6-8-18-9-7-16/h2-3,11,14H,4-10H2,1H3
InChIKeyAGCQONFSUTZLIA-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.23
Rot. Bonds6

About N-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine

N-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine (PubChem CID 105006718) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine
PubChem CID105006718
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine
SMILESCOc1ccc(CNCCN2CCSCC2)cn1
InChIInChI=1S/C13H21N3OS/c1-17-13-3-2-12(11-15-13)10-14-4-5-16-6-8-18-9-7-16/h2-3,11,14H,4-10H2,1H3
InChIKeyAGCQONFSUTZLIA-UHFFFAOYSA-N
XLogP1.23
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 114936342
1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one
CID 62990467
2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936698
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbutan-1-amine
CID 28712170
N-[(1-methylpyrrol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 115867950
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpentan-1-amine
CID 83156007
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 28712781
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191309
2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936757
1-(1,4-dimethylpiperazin-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 114936760
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfanylbutan-1-amine
CID 114936928
N-[(6-methoxy-3-pyridinyl)methyl]-1-(thiolan-2-yl)methanamine
CID 114936829

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine (CID 105006718) is N-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine is COc1ccc(CNCCN2CCSCC2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine?
The InChIKey is AGCQONFSUTZLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-17-13-3-2-12(11-15-13)10-14-4-5-16-6-8-18-9-7-16/h2-3,11,14H,4-10H2,1H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine?
N-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine has a molecular weight of 267.40 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 105006718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).