3-methyl-N-naphthalen-1-yl-3,4-dihydrodibenzothiophen-2-amine

C23H19NS — CID 154955222

IUPAC3-methyl-N-naphthalen-1-yl-3,4-dihydrodibenzothiophen-2-amine
SMILESCC1Cc2sc3ccccc3c2C=C1Nc1cccc2ccccc12
InChIInChI=1S/C23H19NS/c1-15-13-23-19(18-10-4-5-12-22(18)25-23)14-21(15)24-20-11-6-8-16-7-2-3-9-17(16)20/h2-12,14-15,24H,13H2,1H3
InChIKeyUAGSTIXBNZBMFR-UHFFFAOYSA-N
MW341.48 g/mol
LogP6.70
Rot. Bonds2

About 3-methyl-N-naphthalen-1-yl-3,4-dihydrodibenzothiophen-2-amine

3-methyl-N-naphthalen-1-yl-3,4-dihydrodibenzothiophen-2-amine (PubChem CID 154955222) has the molecular formula C23H19NS and a molecular weight of 341.48 g/mol. Its IUPAC name is 3-methyl-N-naphthalen-1-yl-3,4-dihydrodibenzothiophen-2-amine.

Molecular Properties

Compound Name3-methyl-N-naphthalen-1-yl-3,4-dihydrodibenzothiophen-2-amine
PubChem CID154955222
Molecular FormulaC23H19NS
Molecular Weight341.48 g/mol
Exact Mass341.12
IUPAC Name3-methyl-N-naphthalen-1-yl-3,4-dihydrodibenzothiophen-2-amine
SMILESCC1Cc2sc3ccccc3c2C=C1Nc1cccc2ccccc12
InChIInChI=1S/C23H19NS/c1-15-13-23-19(18-10-4-5-12-22(18)25-23)14-21(15)24-20-11-6-8-16-7-2-3-9-17(16)20/h2-12,14-15,24H,13H2,1H3
InChIKeyUAGSTIXBNZBMFR-UHFFFAOYSA-N
XLogP6.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.48
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-naphthalen-1-yl-3,4-dihydrodibenzothiophen-2-amine?
The IUPAC name of 3-methyl-N-naphthalen-1-yl-3,4-dihydrodibenzothiophen-2-amine (CID 154955222) is 3-methyl-N-naphthalen-1-yl-3,4-dihydrodibenzothiophen-2-amine.
What is the SMILES notation for 3-methyl-N-naphthalen-1-yl-3,4-dihydrodibenzothiophen-2-amine?
The canonical SMILES for 3-methyl-N-naphthalen-1-yl-3,4-dihydrodibenzothiophen-2-amine is CC1Cc2sc3ccccc3c2C=C1Nc1cccc2ccccc12.
What is the InChIKey of 3-methyl-N-naphthalen-1-yl-3,4-dihydrodibenzothiophen-2-amine?
The InChIKey is UAGSTIXBNZBMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NS/c1-15-13-23-19(18-10-4-5-12-22(18)25-23)14-21(15)24-20-11-6-8-16-7-2-3-9-17(16)20/h2-12,14-15,24H,13H2,1H3.
What are the key properties of 3-methyl-N-naphthalen-1-yl-3,4-dihydrodibenzothiophen-2-amine?
3-methyl-N-naphthalen-1-yl-3,4-dihydrodibenzothiophen-2-amine has a molecular weight of 341.48 g/mol, XLogP of 6.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-naphthalen-1-yl-3,4-dihydrodibenzothiophen-2-amine is sourced from PubChem (CID 154955222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).