[4-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]methanamine

C14H16N2OS — CID 113384726

IUPAC[4-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]methanamine
SMILESCOc1cccc(CSc2ccc(CN)cc2)n1
InChIInChI=1S/C14H16N2OS/c1-17-14-4-2-3-12(16-14)10-18-13-7-5-11(9-15)6-8-13/h2-8H,9-10,15H2,1H3
InChIKeySWJKRGPPEFEMNW-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.84
Rot. Bonds5

About [4-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]methanamine

[4-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]methanamine (PubChem CID 113384726) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is [4-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]methanamine
PubChem CID113384726
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name[4-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]methanamine
SMILESCOc1cccc(CSc2ccc(CN)cc2)n1
InChIInChI=1S/C14H16N2OS/c1-17-14-4-2-3-12(16-14)10-18-13-7-5-11(9-15)6-8-13/h2-8H,9-10,15H2,1H3
InChIKeySWJKRGPPEFEMNW-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

4-[(6-methoxy-2-pyridinyl)methylsulfanyl]-2-methylaniline
CID 79148098
1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol
CID 64667045
[3-chloro-4-[(6-methoxy-2-pyridinyl)oxy]phenyl]methanamine
CID 63590629
6-[(4-methoxyphenyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106903462
3-methoxy-6-[[4-(methoxymethyl)phenyl]sulfanylmethyl]pyridazine
CID 119051758
[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 43530260
N-ethyl-5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 119041711
2-[(6-methoxy-2-pyridinyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 63992161
6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79239390
(6-methoxy-2-pyridinyl)methanesulfonamide
CID 63984915
2-[(6-methoxy-2-pyridinyl)methoxy]-2-methylpropan-1-amine
CID 65053443
2-[4-[(6-methoxy-2-pyridinyl)oxy]phenyl]ethanamine
CID 63590271

Frequently Asked Questions

What is the IUPAC name of [4-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]methanamine?
The IUPAC name of [4-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]methanamine (CID 113384726) is [4-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]methanamine.
What is the SMILES notation for [4-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]methanamine?
The canonical SMILES for [4-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]methanamine is COc1cccc(CSc2ccc(CN)cc2)n1.
What is the InChIKey of [4-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]methanamine?
The InChIKey is SWJKRGPPEFEMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-17-14-4-2-3-12(16-14)10-18-13-7-5-11(9-15)6-8-13/h2-8H,9-10,15H2,1H3.
What are the key properties of [4-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]methanamine?
[4-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]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-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]methanamine is sourced from PubChem (CID 113384726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).