1-N,1-N,9-N,9-N-tetramethyldibenzothiophene-1,9-diamine

C16H18N2S — CID 14024666

IUPAC1-N,1-N,9-N,9-N-tetramethyldibenzothiophene-1,9-diamine
SMILESCN(C)c1cccc2sc3cccc(N(C)C)c3c12
InChIInChI=1S/C16H18N2S/c1-17(2)11-7-5-9-13-15(11)16-12(18(3)4)8-6-10-14(16)19-13/h5-10H,1-4H3
InChIKeyBENSVOMKPWCOFF-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.19
Rot. Bonds2

About 1-N,1-N,9-N,9-N-tetramethyldibenzothiophene-1,9-diamine

1-N,1-N,9-N,9-N-tetramethyldibenzothiophene-1,9-diamine (PubChem CID 14024666) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-N,1-N,9-N,9-N-tetramethyldibenzothiophene-1,9-diamine.

Molecular Properties

Compound Name1-N,1-N,9-N,9-N-tetramethyldibenzothiophene-1,9-diamine
PubChem CID14024666
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name1-N,1-N,9-N,9-N-tetramethyldibenzothiophene-1,9-diamine
SMILESCN(C)c1cccc2sc3cccc(N(C)C)c3c12
InChIInChI=1S/C16H18N2S/c1-17(2)11-7-5-9-13-15(11)16-12(18(3)4)8-6-10-14(16)19-13/h5-10H,1-4H3
InChIKeyBENSVOMKPWCOFF-UHFFFAOYSA-N
XLogP4.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,9-N,9-N-tetramethyldibenzothiophene-1,9-diamine?
The IUPAC name of 1-N,1-N,9-N,9-N-tetramethyldibenzothiophene-1,9-diamine (CID 14024666) is 1-N,1-N,9-N,9-N-tetramethyldibenzothiophene-1,9-diamine.
What is the SMILES notation for 1-N,1-N,9-N,9-N-tetramethyldibenzothiophene-1,9-diamine?
The canonical SMILES for 1-N,1-N,9-N,9-N-tetramethyldibenzothiophene-1,9-diamine is CN(C)c1cccc2sc3cccc(N(C)C)c3c12.
What is the InChIKey of 1-N,1-N,9-N,9-N-tetramethyldibenzothiophene-1,9-diamine?
The InChIKey is BENSVOMKPWCOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-17(2)11-7-5-9-13-15(11)16-12(18(3)4)8-6-10-14(16)19-13/h5-10H,1-4H3.
What are the key properties of 1-N,1-N,9-N,9-N-tetramethyldibenzothiophene-1,9-diamine?
1-N,1-N,9-N,9-N-tetramethyldibenzothiophene-1,9-diamine has a molecular weight of 270.40 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,9-N,9-N-tetramethyldibenzothiophene-1,9-diamine is sourced from PubChem (CID 14024666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).