[4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine

C14H16N2OS — CID 63883446

IUPAC[4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine
SMILESCOc1cccc(SCc2ccnc(CN)c2)c1
InChIInChI=1S/C14H16N2OS/c1-17-13-3-2-4-14(8-13)18-10-11-5-6-16-12(7-11)9-15/h2-8H,9-10,15H2,1H3
InChIKeyALDPAWFFFKGLCW-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.84
Rot. Bonds5

About [4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine

[4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine (PubChem CID 63883446) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is [4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine
PubChem CID63883446
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name[4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine
SMILESCOc1cccc(SCc2ccnc(CN)c2)c1
InChIInChI=1S/C14H16N2OS/c1-17-13-3-2-4-14(8-13)18-10-11-5-6-16-12(7-11)9-15/h2-8H,9-10,15H2,1H3
InChIKeyALDPAWFFFKGLCW-UHFFFAOYSA-N
XLogP2.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[(3-methoxyphenyl)sulfanylmethyl]pyridine
CID 62046322
[2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 65338277
2-chloro-5-[(3-methoxyphenyl)sulfanylmethyl]aniline
CID 43350014
5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine
CID 43302210
[5-[(3-methoxyphenyl)sulfanylmethyl]pyrazin-2-yl]hydrazine
CID 103062018
5-[(3-methoxyphenyl)sulfanylmethyl]-3H-pyrrole
CID 141133590
[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-pyridinyl]methanamine
CID 115478681
[4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63882087
2-methoxy-4-[(3-methoxyphenyl)sulfanylmethyl]benzoic acid
CID 106794194
[4-(pyrazin-2-ylsulfanylmethyl)-2-pyridinyl]methanamine
CID 63881313
[4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine
CID 55155886
N-[[3-[(3-methoxyphenyl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 66349415

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine (CID 63883446) is [4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine is COc1cccc(SCc2ccnc(CN)c2)c1.
What is the InChIKey of [4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine?
The InChIKey is ALDPAWFFFKGLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-17-13-3-2-4-14(8-13)18-10-11-5-6-16-12(7-11)9-15/h2-8H,9-10,15H2,1H3.
What are the key properties of [4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine?
[4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine has a molecular weight of 260.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 63883446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).