9H-fluoren-9-ylmethyl N-(3-carbamoyl-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)carbamate

C23H24N2O4S — CID 171951096

IUPAC9H-fluoren-9-ylmethyl N-(3-carbamoyl-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)carbamate
SMILESNC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC2CCC(C1)S2=O
InChIInChI=1S/C23H24N2O4S/c24-21(26)23(11-14-9-10-15(12-23)30(14)28)25-22(27)29-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14-15,20H,9-13H2,(H2,24,26)(H,25,27)
InChIKeyRFUNZNBMADQCKX-UHFFFAOYSA-N
MW424.52 g/mol
LogP2.82
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-(3-carbamoyl-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)carbamate

9H-fluoren-9-ylmethyl N-(3-carbamoyl-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)carbamate (PubChem CID 171951096) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(3-carbamoyl-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(3-carbamoyl-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)carbamate
PubChem CID171951096
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name9H-fluoren-9-ylmethyl N-(3-carbamoyl-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)carbamate
SMILESNC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC2CCC(C1)S2=O
InChIInChI=1S/C23H24N2O4S/c24-21(26)23(11-14-9-10-15(12-23)30(14)28)25-22(27)29-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14-15,20H,9-13H2,(H2,24,26)(H,25,27)
InChIKeyRFUNZNBMADQCKX-UHFFFAOYSA-N
XLogP2.82
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9H-fluoren-9-ylmethyl N-(3-carbamoyl-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxo-8λ4-thiabicyclo[3.2.1]octane-3-carboxylate
CID 171951024
methyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)-9-oxo-9λ4-thiabicyclo[3.3.1]nonane-3-carboxylate
CID 171951058
benzyl N-(3-carbamoyl-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)carbamate
CID 171936817
(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.2.0]heptane-3-carboxylic acid
CID 178200031
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylcyclobutane-1-carboxylic acid
CID 103563616
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxycyclopentane-1-carboxylic acid
CID 22662155
3-(9H-fluoren-9-ylmethoxycarbonylamino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 171951066
3-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxabicyclo[3.2.1]octane-3-carboxylic acid
CID 167718744
3-(difluoromethyl)-1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 155896175
methyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 21303770
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,1-dioxothiane-4-carboxylic acid
CID 1268237
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 146109638

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(3-carbamoyl-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(3-carbamoyl-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)carbamate (CID 171951096) is 9H-fluoren-9-ylmethyl N-(3-carbamoyl-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(3-carbamoyl-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(3-carbamoyl-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)carbamate is NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC2CCC(C1)S2=O.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(3-carbamoyl-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)carbamate?
The InChIKey is RFUNZNBMADQCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c24-21(26)23(11-14-9-10-15(12-23)30(14)28)25-22(27)29-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14-15,20H,9-13H2,(H2,24,26)(H,25,27).
What are the key properties of 9H-fluoren-9-ylmethyl N-(3-carbamoyl-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)carbamate?
9H-fluoren-9-ylmethyl N-(3-carbamoyl-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)carbamate has a molecular weight of 424.52 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(3-carbamoyl-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)carbamate is sourced from PubChem (CID 171951096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).