9H-fluoren-9-ylmethyl N-(2-methylsulfanylethyl)carbamate

C18H19NO2S — CID 23588596

IUPAC9H-fluoren-9-ylmethyl N-(2-methylsulfanylethyl)carbamate
SMILESCSCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NO2S/c1-22-11-10-19-18(20)21-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,19,20)
InChIKeyBHYIHUMGIMPQOD-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.89
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-(2-methylsulfanylethyl)carbamate

9H-fluoren-9-ylmethyl N-(2-methylsulfanylethyl)carbamate (PubChem CID 23588596) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(2-methylsulfanylethyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(2-methylsulfanylethyl)carbamate
PubChem CID23588596
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name9H-fluoren-9-ylmethyl N-(2-methylsulfanylethyl)carbamate
SMILESCSCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NO2S/c1-22-11-10-19-18(20)21-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,19,20)
InChIKeyBHYIHUMGIMPQOD-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(2-methylsulfanylethyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(2-methylsulfanylethyl)carbamate (CID 23588596) is 9H-fluoren-9-ylmethyl N-(2-methylsulfanylethyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(2-methylsulfanylethyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(2-methylsulfanylethyl)carbamate is CSCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(2-methylsulfanylethyl)carbamate?
The InChIKey is BHYIHUMGIMPQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-22-11-10-19-18(20)21-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,19,20).
What are the key properties of 9H-fluoren-9-ylmethyl N-(2-methylsulfanylethyl)carbamate?
9H-fluoren-9-ylmethyl N-(2-methylsulfanylethyl)carbamate has a molecular weight of 313.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(2-methylsulfanylethyl)carbamate is sourced from PubChem (CID 23588596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).