[4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine

C13H14N2OS — CID 55155886

IUPAC[4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine
SMILESCOc1ccc(Sc2ccnc(CN)c2)cc1
InChIInChI=1S/C13H14N2OS/c1-16-11-2-4-12(5-3-11)17-13-6-7-15-10(8-13)9-14/h2-8H,9,14H2,1H3
InChIKeyNDIVQTBLOKYGBP-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.70
Rot. Bonds4

About [4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine

[4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine (PubChem CID 55155886) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine
PubChem CID55155886
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name[4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine
SMILESCOc1ccc(Sc2ccnc(CN)c2)cc1
InChIInChI=1S/C13H14N2OS/c1-16-11-2-4-12(5-3-11)17-13-6-7-15-10(8-13)9-14/h2-8H,9,14H2,1H3
InChIKeyNDIVQTBLOKYGBP-UHFFFAOYSA-N
XLogP2.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 768995
4-Methoxy-N-pyridin-3-yl-benzenesulfonamide
CID 771985
[(4-Methoxyphenyl)sulfonyl](2-(2-pyridyl)ethyl)amine
CID 2479319
N-(4-methoxyphenyl)-1-[(4-pyridinylthio)acetyl]-3-piperidinamine
CID 24793121
N-methyl-1-[6-methyl-4-(2-methylsulfanylphenoxy)-3-pyridinyl]methanamine
CID 44453067
3-fluoro-2-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyridine
CID 155526171
3-fluoro-2-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyridine
CID 155556547
4-ethoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2422567
4-Methoxy-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 668975
4-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 975564
VEGF Inducer, GS4012
CID 16192751
4-[2-(4-Methoxy-phenylsulfanyl)-ethyl]-pyridine
CID 761520

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine?
The IUPAC name of [4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine (CID 55155886) is [4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine?
The canonical SMILES for [4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine is COc1ccc(Sc2ccnc(CN)c2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine?
The InChIKey is NDIVQTBLOKYGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-16-11-2-4-12(5-3-11)17-13-6-7-15-10(8-13)9-14/h2-8H,9,14H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine?
[4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine has a molecular weight of 246.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine is sourced from PubChem (CID 55155886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).