9H-fluoren-9-ylmethyl N-(2-methyl-3-methylsulfanylpropyl)carbamate

C20H23NO2S — CID 23588595

IUPAC9H-fluoren-9-ylmethyl N-(2-methyl-3-methylsulfanylpropyl)carbamate
SMILESCSCC(C)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23NO2S/c1-14(13-24-2)11-21-20(22)23-12-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19H,11-13H2,1-2H3,(H,21,22)
InChIKeyXDGSFYRVTISDCP-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.52
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-(2-methyl-3-methylsulfanylpropyl)carbamate

9H-fluoren-9-ylmethyl N-(2-methyl-3-methylsulfanylpropyl)carbamate (PubChem CID 23588595) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(2-methyl-3-methylsulfanylpropyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(2-methyl-3-methylsulfanylpropyl)carbamate
PubChem CID23588595
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name9H-fluoren-9-ylmethyl N-(2-methyl-3-methylsulfanylpropyl)carbamate
SMILESCSCC(C)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23NO2S/c1-14(13-24-2)11-21-20(22)23-12-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19H,11-13H2,1-2H3,(H,21,22)
InChIKeyXDGSFYRVTISDCP-UHFFFAOYSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(2-methyl-3-methylsulfanylpropyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(2-methyl-3-methylsulfanylpropyl)carbamate (CID 23588595) is 9H-fluoren-9-ylmethyl N-(2-methyl-3-methylsulfanylpropyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(2-methyl-3-methylsulfanylpropyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(2-methyl-3-methylsulfanylpropyl)carbamate is CSCC(C)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(2-methyl-3-methylsulfanylpropyl)carbamate?
The InChIKey is XDGSFYRVTISDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-14(13-24-2)11-21-20(22)23-12-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19H,11-13H2,1-2H3,(H,21,22).
What are the key properties of 9H-fluoren-9-ylmethyl N-(2-methyl-3-methylsulfanylpropyl)carbamate?
9H-fluoren-9-ylmethyl N-(2-methyl-3-methylsulfanylpropyl)carbamate has a molecular weight of 341.48 g/mol, XLogP of 4.52, 6 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-methyl-3-methylsulfanylpropyl)carbamate is sourced from PubChem (CID 23588595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).