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

C19H21NO2S — CID 59918052

IUPAC9H-fluoren-9-ylmethyl N-(3-methylsulfanylpropyl)carbamate
SMILESCSCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H21NO2S/c1-23-12-6-11-20-19(21)22-13-18-16-9-4-2-7-14(16)15-8-3-5-10-17(15)18/h2-5,7-10,18H,6,11-13H2,1H3,(H,20,21)
InChIKeyTVUNMRBHQSDFAZ-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.28
Rot. Bonds6

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

9H-fluoren-9-ylmethyl N-(3-methylsulfanylpropyl)carbamate (PubChem CID 59918052) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(3-methylsulfanylpropyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(3-methylsulfanylpropyl)carbamate
PubChem CID59918052
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name9H-fluoren-9-ylmethyl N-(3-methylsulfanylpropyl)carbamate
SMILESCSCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H21NO2S/c1-23-12-6-11-20-19(21)22-13-18-16-9-4-2-7-14(16)15-8-3-5-10-17(15)18/h2-5,7-10,18H,6,11-13H2,1H3,(H,20,21)
InChIKeyTVUNMRBHQSDFAZ-UHFFFAOYSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.28
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-(3-methylsulfanylpropyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(3-methylsulfanylpropyl)carbamate (CID 59918052) is 9H-fluoren-9-ylmethyl N-(3-methylsulfanylpropyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(3-methylsulfanylpropyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(3-methylsulfanylpropyl)carbamate is CSCCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(3-methylsulfanylpropyl)carbamate?
The InChIKey is TVUNMRBHQSDFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-23-12-6-11-20-19(21)22-13-18-16-9-4-2-7-14(16)15-8-3-5-10-17(15)18/h2-5,7-10,18H,6,11-13H2,1H3,(H,20,21).
What are the key properties of 9H-fluoren-9-ylmethyl N-(3-methylsulfanylpropyl)carbamate?
9H-fluoren-9-ylmethyl N-(3-methylsulfanylpropyl)carbamate has a molecular weight of 327.45 g/mol, XLogP of 4.28, 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-(3-methylsulfanylpropyl)carbamate is sourced from PubChem (CID 59918052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).