5,5-dimethyl-N-(2-phenylphenyl)thian-3-amine

C19H23NS — CID 79953212

IUPAC5,5-dimethyl-N-(2-phenylphenyl)thian-3-amine
SMILESCC1(C)CSCC(Nc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C19H23NS/c1-19(2)12-16(13-21-14-19)20-18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-11,16,20H,12-14H2,1-2H3
InChIKeyOGQHGVWNJQEONM-UHFFFAOYSA-N
MW297.47 g/mol
LogP5.30
Rot. Bonds3

About 5,5-dimethyl-N-(2-phenylphenyl)thian-3-amine

5,5-dimethyl-N-(2-phenylphenyl)thian-3-amine (PubChem CID 79953212) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is 5,5-dimethyl-N-(2-phenylphenyl)thian-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-(2-phenylphenyl)thian-3-amine
PubChem CID79953212
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC Name5,5-dimethyl-N-(2-phenylphenyl)thian-3-amine
SMILESCC1(C)CSCC(Nc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C19H23NS/c1-19(2)12-16(13-21-14-19)20-18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-11,16,20H,12-14H2,1-2H3
InChIKeyOGQHGVWNJQEONM-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.47
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-(2-phenylphenyl)thian-3-amine?
The IUPAC name of 5,5-dimethyl-N-(2-phenylphenyl)thian-3-amine (CID 79953212) is 5,5-dimethyl-N-(2-phenylphenyl)thian-3-amine.
What is the SMILES notation for 5,5-dimethyl-N-(2-phenylphenyl)thian-3-amine?
The canonical SMILES for 5,5-dimethyl-N-(2-phenylphenyl)thian-3-amine is CC1(C)CSCC(Nc2ccccc2-c2ccccc2)C1.
What is the InChIKey of 5,5-dimethyl-N-(2-phenylphenyl)thian-3-amine?
The InChIKey is OGQHGVWNJQEONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-19(2)12-16(13-21-14-19)20-18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-11,16,20H,12-14H2,1-2H3.
What are the key properties of 5,5-dimethyl-N-(2-phenylphenyl)thian-3-amine?
5,5-dimethyl-N-(2-phenylphenyl)thian-3-amine has a molecular weight of 297.47 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-(2-phenylphenyl)thian-3-amine is sourced from PubChem (CID 79953212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).