5-(9H-fluoren-2-yl)-3,3-dimethylthiomorpholine

C19H21NS — CID 66229931

IUPAC5-(9H-fluoren-2-yl)-3,3-dimethylthiomorpholine
SMILESCC1(C)CSCC(c2ccc3c(c2)Cc2ccccc2-3)N1
InChIInChI=1S/C19H21NS/c1-19(2)12-21-11-18(20-19)14-7-8-17-15(10-14)9-13-5-3-4-6-16(13)17/h3-8,10,18,20H,9,11-12H2,1-2H3
InChIKeyGLPJDCYXHZEIRB-UHFFFAOYSA-N
MW295.45 g/mol
LogP4.41
Rot. Bonds1

About 5-(9H-fluoren-2-yl)-3,3-dimethylthiomorpholine

5-(9H-fluoren-2-yl)-3,3-dimethylthiomorpholine (PubChem CID 66229931) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is 5-(9H-fluoren-2-yl)-3,3-dimethylthiomorpholine.

Molecular Properties

Compound Name5-(9H-fluoren-2-yl)-3,3-dimethylthiomorpholine
PubChem CID66229931
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name5-(9H-fluoren-2-yl)-3,3-dimethylthiomorpholine
SMILESCC1(C)CSCC(c2ccc3c(c2)Cc2ccccc2-3)N1
InChIInChI=1S/C19H21NS/c1-19(2)12-21-11-18(20-19)14-7-8-17-15(10-14)9-13-5-3-4-6-16(13)17/h3-8,10,18,20H,9,11-12H2,1-2H3
InChIKeyGLPJDCYXHZEIRB-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(9H-fluoren-2-yl)-3,3-dimethylthiomorpholine?
The IUPAC name of 5-(9H-fluoren-2-yl)-3,3-dimethylthiomorpholine (CID 66229931) is 5-(9H-fluoren-2-yl)-3,3-dimethylthiomorpholine.
What is the SMILES notation for 5-(9H-fluoren-2-yl)-3,3-dimethylthiomorpholine?
The canonical SMILES for 5-(9H-fluoren-2-yl)-3,3-dimethylthiomorpholine is CC1(C)CSCC(c2ccc3c(c2)Cc2ccccc2-3)N1.
What is the InChIKey of 5-(9H-fluoren-2-yl)-3,3-dimethylthiomorpholine?
The InChIKey is GLPJDCYXHZEIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-19(2)12-21-11-18(20-19)14-7-8-17-15(10-14)9-13-5-3-4-6-16(13)17/h3-8,10,18,20H,9,11-12H2,1-2H3.
What are the key properties of 5-(9H-fluoren-2-yl)-3,3-dimethylthiomorpholine?
5-(9H-fluoren-2-yl)-3,3-dimethylthiomorpholine has a molecular weight of 295.45 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-fluoren-2-yl)-3,3-dimethylthiomorpholine is sourced from PubChem (CID 66229931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).