1-(4-methylsulfanylphenyl)indol-6-amine

C15H14N2S — CID 142513871

IUPAC1-(4-methylsulfanylphenyl)indol-6-amine
SMILESCSc1ccc(-n2ccc3ccc(N)cc32)cc1
InChIInChI=1S/C15H14N2S/c1-18-14-6-4-13(5-7-14)17-9-8-11-2-3-12(16)10-15(11)17/h2-10H,16H2,1H3
InChIKeyPEXQLAPMEYRICD-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.93
Rot. Bonds2

About 1-(4-methylsulfanylphenyl)indol-6-amine

1-(4-methylsulfanylphenyl)indol-6-amine (PubChem CID 142513871) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)indol-6-amine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)indol-6-amine
PubChem CID142513871
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name1-(4-methylsulfanylphenyl)indol-6-amine
SMILESCSc1ccc(-n2ccc3ccc(N)cc32)cc1
InChIInChI=1S/C15H14N2S/c1-18-14-6-4-13(5-7-14)17-9-8-11-2-3-12(16)10-15(11)17/h2-10H,16H2,1H3
InChIKeyPEXQLAPMEYRICD-UHFFFAOYSA-N
XLogP3.93
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)indol-6-amine?
The IUPAC name of 1-(4-methylsulfanylphenyl)indol-6-amine (CID 142513871) is 1-(4-methylsulfanylphenyl)indol-6-amine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)indol-6-amine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)indol-6-amine is CSc1ccc(-n2ccc3ccc(N)cc32)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)indol-6-amine?
The InChIKey is PEXQLAPMEYRICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-18-14-6-4-13(5-7-14)17-9-8-11-2-3-12(16)10-15(11)17/h2-10H,16H2,1H3.
What are the key properties of 1-(4-methylsulfanylphenyl)indol-6-amine?
1-(4-methylsulfanylphenyl)indol-6-amine has a molecular weight of 254.36 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)indol-6-amine is sourced from PubChem (CID 142513871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).