6-[(4-methoxyphenyl)methylsulfanyl]cyclohexa-1,5-dien-1-amine

C14H17NOS — CID 143780749

IUPAC6-[(4-methoxyphenyl)methylsulfanyl]cyclohexa-1,5-dien-1-amine
SMILESCOc1ccc(CSC2=CCCC=C2N)cc1
InChIInChI=1S/C14H17NOS/c1-16-12-8-6-11(7-9-12)10-17-14-5-3-2-4-13(14)15/h4-9H,2-3,10,15H2,1H3
InChIKeyODQIFSZJVZETSX-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.45
Rot. Bonds4

About 6-[(4-methoxyphenyl)methylsulfanyl]cyclohexa-1,5-dien-1-amine

6-[(4-methoxyphenyl)methylsulfanyl]cyclohexa-1,5-dien-1-amine (PubChem CID 143780749) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methylsulfanyl]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methylsulfanyl]cyclohexa-1,5-dien-1-amine
PubChem CID143780749
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name6-[(4-methoxyphenyl)methylsulfanyl]cyclohexa-1,5-dien-1-amine
SMILESCOc1ccc(CSC2=CCCC=C2N)cc1
InChIInChI=1S/C14H17NOS/c1-16-12-8-6-11(7-9-12)10-17-14-5-3-2-4-13(14)15/h4-9H,2-3,10,15H2,1H3
InChIKeyODQIFSZJVZETSX-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 43304406
4-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 79148342
1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 130378500
4-methoxy-2-[(4-propan-2-ylphenyl)methylsulfanyl]aniline
CID 79519175
2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline
CID 79519098
3-[(4-methoxyphenyl)methylsulfanyl]propan-1-amine
CID 58684174
2-[(4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
CID 4251278
N',N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine
CID 141146046
1-ethenyl-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 144942849
ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene
CID 91259984
1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 132500103
CID 175604529
CID 175604529

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methylsulfanyl]cyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-[(4-methoxyphenyl)methylsulfanyl]cyclohexa-1,5-dien-1-amine (CID 143780749) is 6-[(4-methoxyphenyl)methylsulfanyl]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-[(4-methoxyphenyl)methylsulfanyl]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-[(4-methoxyphenyl)methylsulfanyl]cyclohexa-1,5-dien-1-amine is COc1ccc(CSC2=CCCC=C2N)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methylsulfanyl]cyclohexa-1,5-dien-1-amine?
The InChIKey is ODQIFSZJVZETSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-16-12-8-6-11(7-9-12)10-17-14-5-3-2-4-13(14)15/h4-9H,2-3,10,15H2,1H3.
What are the key properties of 6-[(4-methoxyphenyl)methylsulfanyl]cyclohexa-1,5-dien-1-amine?
6-[(4-methoxyphenyl)methylsulfanyl]cyclohexa-1,5-dien-1-amine has a molecular weight of 247.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methylsulfanyl]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143780749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).