9H-fluoren-9-ylmethyl N-[2-(2-oxopropylsulfanyl)ethyl]carbamate

C20H21NO3S — CID 23588594

IUPAC9H-fluoren-9-ylmethyl N-[2-(2-oxopropylsulfanyl)ethyl]carbamate
SMILESCC(=O)CSCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H21NO3S/c1-14(22)13-25-11-10-21-20(23)24-12-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19H,10-13H2,1H3,(H,21,23)
InChIKeyCGCVLCBXQJOSCC-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.85
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[2-(2-oxopropylsulfanyl)ethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-(2-oxopropylsulfanyl)ethyl]carbamate (PubChem CID 23588594) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-(2-oxopropylsulfanyl)ethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-(2-oxopropylsulfanyl)ethyl]carbamate
PubChem CID23588594
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Name9H-fluoren-9-ylmethyl N-[2-(2-oxopropylsulfanyl)ethyl]carbamate
SMILESCC(=O)CSCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H21NO3S/c1-14(22)13-25-11-10-21-20(23)24-12-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19H,10-13H2,1H3,(H,21,23)
InChIKeyCGCVLCBXQJOSCC-UHFFFAOYSA-N
XLogP3.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-oxopropylsulfanyl)ethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-(2-oxopropylsulfanyl)ethyl]carbamate (CID 23588594) is 9H-fluoren-9-ylmethyl N-[2-(2-oxopropylsulfanyl)ethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-(2-oxopropylsulfanyl)ethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-(2-oxopropylsulfanyl)ethyl]carbamate is CC(=O)CSCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-(2-oxopropylsulfanyl)ethyl]carbamate?
The InChIKey is CGCVLCBXQJOSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-14(22)13-25-11-10-21-20(23)24-12-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19H,10-13H2,1H3,(H,21,23).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-(2-oxopropylsulfanyl)ethyl]carbamate?
9H-fluoren-9-ylmethyl N-[2-(2-oxopropylsulfanyl)ethyl]carbamate has a molecular weight of 355.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-(2-oxopropylsulfanyl)ethyl]carbamate is sourced from PubChem (CID 23588594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).