N-methyl-6-methylsulfanylphenanthren-3-amine

C16H15NS — CID 155283661

IUPACN-methyl-6-methylsulfanylphenanthren-3-amine
SMILESCNc1ccc2ccc3ccc(SC)cc3c2c1
InChIInChI=1S/C16H15NS/c1-17-13-7-5-11-3-4-12-6-8-14(18-2)10-16(12)15(11)9-13/h3-10,17H,1-2H3
InChIKeyDKLWUKFFPDZERH-UHFFFAOYSA-N
MW253.37 g/mol
LogP4.76
Rot. Bonds2

About N-methyl-6-methylsulfanylphenanthren-3-amine

N-methyl-6-methylsulfanylphenanthren-3-amine (PubChem CID 155283661) has the molecular formula C16H15NS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-methyl-6-methylsulfanylphenanthren-3-amine.

Molecular Properties

Compound NameN-methyl-6-methylsulfanylphenanthren-3-amine
PubChem CID155283661
Molecular FormulaC16H15NS
Molecular Weight253.37 g/mol
Exact Mass253.09
IUPAC NameN-methyl-6-methylsulfanylphenanthren-3-amine
SMILESCNc1ccc2ccc3ccc(SC)cc3c2c1
InChIInChI=1S/C16H15NS/c1-17-13-7-5-11-3-4-12-6-8-14(18-2)10-16(12)15(11)9-13/h3-10,17H,1-2H3
InChIKeyDKLWUKFFPDZERH-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-methylsulfanylphenanthren-3-amine?
The IUPAC name of N-methyl-6-methylsulfanylphenanthren-3-amine (CID 155283661) is N-methyl-6-methylsulfanylphenanthren-3-amine.
What is the SMILES notation for N-methyl-6-methylsulfanylphenanthren-3-amine?
The canonical SMILES for N-methyl-6-methylsulfanylphenanthren-3-amine is CNc1ccc2ccc3ccc(SC)cc3c2c1.
What is the InChIKey of N-methyl-6-methylsulfanylphenanthren-3-amine?
The InChIKey is DKLWUKFFPDZERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS/c1-17-13-7-5-11-3-4-12-6-8-14(18-2)10-16(12)15(11)9-13/h3-10,17H,1-2H3.
What are the key properties of N-methyl-6-methylsulfanylphenanthren-3-amine?
N-methyl-6-methylsulfanylphenanthren-3-amine has a molecular weight of 253.37 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-methylsulfanylphenanthren-3-amine is sourced from PubChem (CID 155283661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).